Cas no 1250191-32-2 (3-Isothiocyanato-4-methylbenzonitrile)
1250191-32-2 structure
Product Name:3-Isothiocyanato-4-methylbenzonitrile
CAS No:1250191-32-2
MF:C9H6N2S
MW:174.222340106964
CID:6337577
PubChem ID:62103018
Update Time:2026-03-11
3-Isothiocyanato-4-methylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-isothiocyanato-4-methylbenzonitrile
- AKOS011382480
- 2-Methyl-5-cyanophenyl Isothiocyanate
- SY328680
- 1250191-32-2
- 3-Isothiocyanato-4-methylbenzonitrile
-
- Inchi： 1S/C9H6N2S/c1-7-2-3-8(5-10)4-9(7)11-6-12/h2-4H,1H3
- InChI Key： WBFIDVSCSIAJJU-UHFFFAOYSA-N
- SMILES： S=C=NC1C=C(C#N)C=CC=1C
Computed Properties
- Exact Mass: 174.02516937g/mol
- Monoisotopic Mass: 174.02516937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 247
- 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
- XLogP3: 3.4
- Topological Polar Surface Area: 68.2?2
3-Isothiocyanato-4-methylbenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY328680-1g |
2-Methyl-5-cyanophenyl Isothiocyanate |
1250191-32-2 | ≥95% | 1g |
￥7650.00 | 2024-07-10 |
3-Isothiocyanato-4-methylbenzonitrile Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
1250191-32-2 (3-Isothiocyanato-4-methylbenzonitrile) Related Products
- 2719-32-6(p-Cyanophenyl Isothiocyanate)
- 3125-78-8(3-cyanophenyl isothiocyanate)
- 6095-82-5(2,4,6-Trimethylphenyl isothiocyanate)
- 19241-18-0(2,4,5-Trimethylphenyl isothiocyanate)
- 19241-15-7(2,5-Dimethylphenyl isothiocyanate)
- 25642-63-1(Benzene,1,3-diisothiocyanato-2-methyl-)
- 19241-16-8(2,6-Dimethylphenyl isothiocyanate)
- 614-69-7(o-Tolyl isothiocyanate)
- 39842-01-8(2,4-Dimethylphenyl isothiocyanate)
- 1539-20-4(2,3-Dimethylphenyl isothiocyanate)
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