Cas no 168910-27-8 (Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-)
![Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/169000/168910-27-8x500.png)
168910-27-8 structure
Product Name:Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-
CAS No:168910-27-8
MF:C14H12N2S
MW:240.323481559753
CID:2781558
PubChem ID:486312
Update Time:2025-04-21
Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID00333143
- SQA33Q2UP9
- BDBM1737
- 2-amino-6-(p-tolylsulfanyl)benzonitrile
- CHEMBL51912
- 6-Amino-2-(4-methylphenylthio)benzenecarbonitrile
- 2-Amino-6-arylthiobenzonitrile deriv. 1g
- 2-Azanyl-6-(4-methylphenyl)sulfanyl-benzenecarbonitrile
- 2-Amino-6-[(4-methylphenyl)thio]benzonitrile
- 2-amino-6-[(4-methylphenyl)sulfanyl]benzonitrile
- Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-
- 168910-27-8
- PD180338
-
- Inchi： 1S/C14H12N2S/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3
- InChI Key： NLGYCJNCIXKPHK-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1C#N)N)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 240.07211956Da
- Monoisotopic Mass: 240.07211956Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 288
- 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: 3.9
- Topological Polar Surface Area: 75.1?2
Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
168910-27-8 (Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-) Related Products
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