Cas no 21749-63-3 (Benzenethiol, 2-(methylamino)-)
21749-63-3 structure
Product Name:Benzenethiol, 2-(methylamino)-
CAS No:21749-63-3
MF:C7H9NS
MW:139.218060255051
CID:1403981
PubChem ID:452161
Update Time:2025-04-20
Benzenethiol, 2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2-(methylamino)-
- 2-(methylamino)benzenethiol
- DTXSID70332345
- 2-(methylamino)-thiophenol
- SCHEMBL487166
- IZGADWSEDZVYHD-UHFFFAOYSA-N
- 21749-63-3
- AKOS000282639
- N-methyl-o-aminothiophenol
-
- Inchi： 1S/C7H9NS/c1-8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3
- InChI Key： IZGADWSEDZVYHD-UHFFFAOYSA-N
- SMILES： CNC1C(S)=CC=CC=1
Computed Properties
- Exact Mass: 139.04567
- 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: 85
- 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: 2.1
- Topological Polar Surface Area: 13?2
Experimental Properties
- PSA: 12.03
Benzenethiol, 2-(methylamino)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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