Cas no 13865-48-0 (Benzene,1-methyl-3-(phenylthio)-)
13865-48-0 structure
Product Name:Benzene,1-methyl-3-(phenylthio)-
CAS No:13865-48-0
MF:C13H12S
MW:200.299382209778
MDL:MFCD00216266
CID:152759
PubChem ID:139633
Update Time:2025-04-19
Benzene,1-methyl-3-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-3-(phenylthio)-
- 1-methyl-3-phenylsulfanylbenzene
- 3-Methyldiphenylsulfide500μg
- 3-methylphenyl phenyl sulfide
- 3-tolyl phenyl thioether
- 3-METHYLDIPHENYLSULFIDE
- 3-Methyl dlphenyl sulfide
- 1-methyl-3-(phenylsulfanyl)benzene
- SCHEMBL3894284
- FT-0692241
- InChI=1/C13H12S/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H
- 13865-48-0
- DTXSID80160737
- phenyl(m-tolyl)sulfane
- Benzene, 1-methyl-3-(phenylthio)-
-
- MDL： MFCD00216266
- Inchi： 1S/C13H12S/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key： ZJVTUKZKUYWJLL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 200.06600
- Monoisotopic Mass: 200.066
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 4.4
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- Density: 1.0937
- Melting Point: -6.5°C
- Boiling Point: 298.04°C (rough estimate)
- Flash Point: 135.9°C
- Refractive Index: 1.6170 (estimate)
- PSA: 25.30000
- LogP: 4.14620
Benzene,1-methyl-3-(phenylthio)- 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%
Benzene,1-methyl-3-(phenylthio)- Related Literature
-
Wei-Kai Huang,Wei-Ting Chen,I.-Jui Hsu,Chien-Chung Han,Shin-Guang Shyu RSC Adv. 2017 7 4912
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