Cas no 102232-95-1 (3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl-)
102232-95-1 structure
Product Name:3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl-
CAS No:102232-95-1
MF:C14H16N2S
MW:244.355241775513
CID:198695
PubChem ID:24844830
Update Time:2025-04-19
3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl-
- 1-ethylsulfanyl-3-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- BRN 0752237
- 9H-Pyrido(3,4-b)indole, 3,4-dihydro-1-ethylthio-3-methyl-
- 5-23-12-00148 (Beilstein Handbook Reference)
- 102232-95-1
- 1-(Ethylsulfanyl)-3-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- DTXSID60907263
- 1-Ethylthio-3-methyl-3,4-dihydro-9H-pyrido(3,4-b)indole
-
- Inchi: 1S/C14H16N2S/c1-3-17-14-13-11(8-9(2)15-14)10-6-4-5-7-12(10)16-13/h4-7,9,16H,3,8H2,1-2H3
- InChI Key: YBCJUVYPGUPSCL-UHFFFAOYSA-N
- SMILES: S(CC)C1C2=C(C3C=CC=CC=3N2)CC(C)N=1
Computed Properties
- Exact Mass: 244.10342g/mol
- Monoisotopic Mass: 244.10342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 315
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 244.36g/mol
- XLogP3: 3.5
- Topological Polar Surface Area: 53.4?2
3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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