Cas no 54466-75-0 (1H-Indole-3-thiol, 2-phenyl-)
1H-Indole-3-thiol, 2-phenyl- structure
Product Name:1H-Indole-3-thiol, 2-phenyl-
CAS No:54466-75-0
MF:C14H11NS
MW:225.308841943741
CID:354501
PubChem ID:12399018
Update Time:2025-04-19
1H-Indole-3-thiol, 2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-thiol, 2-phenyl-
- 2-phenyl-1H-indole-3-thiol
- 54466-75-0
- SCHEMBL10936800
- DTXSID50496378
-
- Inchi: 1S/C14H11NS/c16-14-11-8-4-5-9-12(11)15-13(14)10-6-2-1-3-7-10/h1-9,15-16H
- InChI Key: GSDOQISZWWRJRC-UHFFFAOYSA-N
- SMILES: SC1C2C=CC=CC=2NC=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 225.06133
- Monoisotopic Mass: 225.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 237
- 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: 16.8?2
Experimental Properties
- PSA: 15.79
1H-Indole-3-thiol, 2-phenyl- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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