Cas no 90296-28-9 (Benzenemethanethiol, 4-amino-)
Benzenemethanethiol, 4-amino- structure
Product Name:Benzenemethanethiol, 4-amino-
CAS No:90296-28-9
MF:C7H9NS
MW:139.218060255051
CID:789816
PubChem ID:19101446
Update Time:2025-04-19
Benzenemethanethiol, 4-amino- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanethiol, 4-amino-
- (4-aminophenyl)methanethiol
- DTXSID50598088
- AKOS006340703
- aminobenzylthiol
- 90296-28-9
- SCHEMBL735398
-
- Inchi： 1S/C7H9NS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2
- InChI Key： FUEMCRRMXUJLCG-UHFFFAOYSA-N
- SMILES： SCC1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 139.04557046g/mol
- Monoisotopic Mass: 139.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 77
- 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: 0.8
- Topological Polar Surface Area: 27?2
Benzenemethanethiol, 4-amino- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
90296-28-9 (Benzenemethanethiol, 4-amino-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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