Cas no 16078-31-2 (Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)-)
16078-31-2 structure
Product Name:Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)-
CAS No:16078-31-2
MF:C10H11NS
MW:177.266041040421
CID:121397
PubChem ID:45118475
Update Time:2025-04-18
Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)-
- 1H-Indole, 2,3-dihydro-1-(1-thioxoethyl)- (9CI)
- SCHEMBL11981335
- 1-(2,3-dihydro-1H-indol-1-yl)ethane-1-thione
- 1-(2,3-Dihydro-1H-indol-1-yl)ethanethione
- DTXSID101270774
- 16078-31-2
- 1-(Indolin-1-yl)ethanethione
-
- Inchi: 1S/C10H11NS/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
- InChI Key: ILWYEOOMJQVVHW-UHFFFAOYSA-N
- SMILES: S=C(C)N1C2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 177.06133
- Monoisotopic Mass: 177.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 190
- 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: 1.9
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 3.24
Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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