Cas no 112817-84-2 (2H-Indole-2-thione,1-butyl-1,3-dihydro-)
112817-84-2 structure
Product Name:2H-Indole-2-thione,1-butyl-1,3-dihydro-
CAS No:112817-84-2
MF:C12H15NS
MW:205.31920170784
CID:129928
PubChem ID:45118537
Update Time:2025-04-19
2H-Indole-2-thione,1-butyl-1,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Indole-2-thione,1-butyl-1,3-dihydro-
- 1-butylindoline-2-thione
- 112817-84-2
- SCHEMBL9833912
- 2H-Indole-2-thione, 1-butyl-1,3-dihydro-
-
- Inchi： 1S/C12H15NS/c1-2-3-8-13-11-7-5-4-6-10(11)9-12(13)14/h4-7H,2-3,8-9H2,1H3
- InChI Key： NGMMELGMUQNMKR-UHFFFAOYSA-N
- SMILES： S=C1CC2C=CC=CC=2N1CCCC
Computed Properties
- Exact Mass: 205.09265
- Monoisotopic Mass: 205.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 214
- 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
- Topological Polar Surface Area: 35.3A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 3.24
2H-Indole-2-thione,1-butyl-1,3-dihydro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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