Cas no 6976-04-1 ( )
structure
Product Name:
CAS No:6976-04-1
MF:C6H7NNaS
MW:148.181250810623
CID:974194
PubChem ID:20467822
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- sodium p-amino-phenylthiolate; sodium 4-aminothiophenolate; sodium p-aminothiophenoxide; NSC20578; 4-aminothiophenol sodium salt;
- NSC20578
- NSC-20578
- DTXSID80607551
- sodium;4-aminobenzenethiol
- 6976-04-1
-
-
- Inchi： 1S/C6H7NS.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;/q;+1
- InChI Key： VLRHPZZUUCUUNG-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)N.[Na+]
Computed Properties
- Exact Mass: 148.02000
- Monoisotopic Mass: 148.01968968g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 66.9
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 64.82000
- LogP: 2.13870
Related Literature
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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