Cas no 7125-32-8 (1,2,4,5-Tetrahydro-3-benzothiepine)
7125-32-8 structure
Product Name:1,2,4,5-Tetrahydro-3-benzothiepine
CAS No:7125-32-8
MF:C10H12S
MW:164.267281532288
CID:2799887
PubChem ID:12365400
Update Time:2025-04-21
1,2,4,5-Tetrahydro-3-benzothiepine Chemical and Physical Properties
Names and Identifiers
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- 7125-32-8
- DTXSID80494423
- 1,2,4,5-tetrahydro-[3]benzothiepine
- SCHEMBL4860332
- DTXCID80445233
- tetrahydro-3-benzothiepine
- 1,2,4,5-Tetrahydro-3-benzothiepine
-
- Inchi： 1S/C10H12S/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4H,5-8H2
- InChI Key： PHDMYIALNFNOON-UHFFFAOYSA-N
- SMILES： S1CCC2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 164.06597156g/mol
- Monoisotopic Mass: 164.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 108
- 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: 2.9
- Topological Polar Surface Area: 25.3?2
1,2,4,5-Tetrahydro-3-benzothiepine Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
7125-32-8 (1,2,4,5-Tetrahydro-3-benzothiepine) Related Products
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