Cas no 62225-57-4 (Acetonitrile, [(2-aminophenyl)thio]-)
![Acetonitrile, [(2-aminophenyl)thio]- structure](https://ossimg.kuujia.com/scimg/62500/62225-57-4x500.png)
62225-57-4 structure
Product Name:Acetonitrile, [(2-aminophenyl)thio]-
CAS No:62225-57-4
MF:C8H8N2S
MW:164.227519989014
CID:453588
PubChem ID:11126611
Update Time:2025-04-19
Acetonitrile, [(2-aminophenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, [(2-aminophenyl)thio]-
- 2-(2-aminophenyl)sulfanylacetonitrile
- 62225-57-4
- SCHEMBL11346446
- DTXSID40456103
- AKOS000172077
-
- Inchi： 1S/C8H8N2S/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4H,6,10H2
- InChI Key： MNPCKQVFLSQOLA-UHFFFAOYSA-N
- SMILES： S(CC#N)C1C=CC=CC=1N
Computed Properties
- Exact Mass: 164.04094
- Monoisotopic Mass: 164.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- 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: 1.5
- Topological Polar Surface Area: 75.1?2
Experimental Properties
- PSA: 49.81
Acetonitrile, [(2-aminophenyl)thio]- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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