Cas no 21382-98-9 (4-(methylsulfanyl)benzonitrile)
21382-98-9 structure
Product Name:4-(methylsulfanyl)benzonitrile
CAS No:21382-98-9
MF:C8H7NS
MW:149.212880373001
MDL:MFCD00010381
CID:51775
PubChem ID:590960
Update Time:2025-04-18
4-(methylsulfanyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(methylthio)benzonitrile
- 4-Cyanothioanisole~4-(Methylmercapto)benzonitrile
- 4-Cyanothioanisole
- 4-methylsulfanylbenzonitrile
- 4-(Methylsulfanyl)benzonitrile
- 4-cyanophenyl methyl sulfide
- 4-methylthiobenzenecarbonitrile
- 4-NC2C6H4SMe
- p-Cyanothioanisole
- p-MeS-Ph-CN
- p-methylthiobenzonitrile
- 4-Methylthio benzonitrile
- Benzonitrile, 4-(methylthio)-
- RPVGEEHGKIFQFO-UHFFFAOYSA-N
- p-Methylthio benzonitrile
- 4-cyano-thioanisole
- PubChem10528
- 4-methylthiobenzonitrile
- 4-(methylthio) benzonitrile
- 4-methylsulfanyl-benzonitrile
- 4-(Methylsulfanyl)benzonitrile #
- 4-methylsulfanylben
- 21382-98-9
- InChI=1/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H
- A815302
- 1-Cyano-4-(methylthio)benzene; 4-(Methylthio)benzonitrile
- 4-(Methylthio)benzonitrile, 98%
- J-513777
- 4-methylsulfanylbenzenecarbonitrile
- EN300-185376
- SY109451
- SCHEMBL1145161
- MFCD00010381
- AKOS008969313
- FT-0616818
- CS-0008336
- DTXSID40343620
- WAA38298
- J-014024
- Z57900348
- (2,4,6-TRIMETHYL-PHENOXY)-ACETICACID
- DB-045564
- STL253599
- 4-(methylsulfanyl)benzonitrile
-
- MDL： MFCD00010381
- Inchi： 1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
- InChI Key： RPVGEEHGKIFQFO-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(C#N)=CC=1
- BRN： 2079565
Computed Properties
- Exact Mass: 149.03000
- Monoisotopic Mass: 149.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 49.1
Experimental Properties
- Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
- Density: 1.1442 (rough estimate)
- Melting Point: 61-63?°C (lit.)
- Boiling Point: 272?°C(lit.)
- Flash Point: 119.2±22.6 °C
- Refractive Index: 1.6000 (estimate)
- Water Partition Coefficient: Insoluble in water.
- PSA: 49.09000
- LogP: 2.28018
4-(methylsulfanyl)benzonitrile Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302,H312,H315,H319,H332,H335
- Warning Statement： P261,P280,P305+P351+P338
- Hazardous Material transportation number：3276
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26-S36
-
Hazardous Material Identification：
- HazardClass：6.1
- PackingGroup：III
- Safety Term：6.1
- Packing Group：III
- Risk Phrases：R20/21/22; R36/37/38
- Packing Group：III
- Hazard Level：6.1
- Storage Condition：Store at 4°C,-4At ℃Store…Better
4-(methylsulfanyl)benzonitrile Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
4-(methylsulfanyl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-AS920-5g |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 98% | 5g |
304.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-AS920-1g |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 98% | 1g |
106.0CNY | 2021-08-03 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 279684-5G |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 5g |
￥607.75 | 2023-12-09 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 279684-25G |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 25g |
￥1732.73 | 2023-12-09 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M83770-5g |
4-(Methylthio)benzonitrile |
21382-98-9 | 5g |
￥228.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M83770-100g |
4-(Methylthio)benzonitrile |
21382-98-9 | 100g |
￥2638.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M83770-25g |
4-(Methylthio)benzonitrile |
21382-98-9 | 25g |
￥948.0 | 2021-09-08 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024584-100g |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 98% | 100g |
￥2633 | 2024-05-25 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024584-25g |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 98% | 25g |
￥1080 | 2024-05-25 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024584-5g |
4-(methylsulfanyl)benzonitrile |
21382-98-9 | 98% | 5g |
￥300 | 2024-05-25 |
4-(methylsulfanyl)benzonitrile Related Literature
-
1. Crystal and molecular structure of 2,3,5,6-tetrachloro-4-(methylthio)-benzonitrileD. R. Carter,F. P. Boer J. Chem. Soc. Perkin Trans. 2 1972 2104
-
Priya Singh,Eleanor Stewart-Jones,Melissa C. Denler,Timothy A. Jackson Dalton Trans. 2021 50 3577
-
Liuzhou Gao,Guoqiang Wang,Hui Chen,Jia Cao,Xiaoshi Su,Xueting Liu,Mo Yang,Xu Cheng,Shuhua Li Org. Chem. Front. 2020 7 2744
-
4. Index of subjects, 1972
-
Ramanathan Sudharsanam,Srinivasan Chandrasekaran,Puspendu Kumar Das J. Mater. Chem. 2002 12 2904
21382-98-9 (4-(methylsulfanyl)benzonitrile) Related Products
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- 918967-41-6(Benzonitrile, 3-methyl-4-(methylthio)-)
- 91804-55-6(Benzonitrile, 2-(phenylthio)-)
- 65052-48-4(Benzonitrile,3-(methylthio)-)
- 893734-96-8(3-4-(Methylsulfanyl)phenylbenzonitrile)
- 6609-54-7(2-(methylsulfanyl)benzonitrile)
- 77474-63-6(4-(Phenylthio)phthalonitrile)
- 104128-50-9(4-(4-methylphenyl)sulfanylbenzonitrile)
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