Cas no 65052-48-4 (Benzonitrile,3-(methylthio)-)
Benzonitrile,3-(methylthio)- structure
Product Name:Benzonitrile,3-(methylthio)-
CAS No:65052-48-4
MF:C8H7NS
MW:149.212880373001
CID:501342
PubChem ID:13032813
Update Time:2025-04-19
Benzonitrile,3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,3-(methylthio)-
- 3-methylsulfanylbenzonitrile
- 3-(methylthio)-benzonitrile
- 3-cyanophenyl methyl sulfide
- 3-Methylmercapto-benzonitril
- 3-methylsulfanyl-benzonitrile
- Benzonitrile,3-(methylthio)
- Benzonitrile, 3-(methylthio)-
- m-methylthiobenzonitrile
- AKOS022634423
- 65052-48-4
- 3-cyanothioanisole
- SCHEMBL3242399
- IHTFSBAUENZVAX-UHFFFAOYSA-N
- DTXSID30515798
- 3-(methylthio)benzonitrile
- 3-(Methylsulfanyl)benzonitrile
-
- Inchi： 1S/C8H7NS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
- InChI Key： IHTFSBAUENZVAX-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 149.03000
- Monoisotopic Mass: 149.02992040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 147
- 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: 1.8
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 49.09000
- LogP: 2.28018
Benzonitrile,3-(methylthio)- 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%
Benzonitrile,3-(methylthio)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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