Cas no 104468-47-5 (Benzothiazole,4,5,6,7-tetrahydro-7-methyl-)
104468-47-5 structure
Product Name:Benzothiazole,4,5,6,7-tetrahydro-7-methyl-
CAS No:104468-47-5
MF:C8H11NS
MW:153.24464058876
CID:126226
PubChem ID:13731272
Update Time:2025-04-18
Benzothiazole,4,5,6,7-tetrahydro-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,4,5,6,7-tetrahydro-7-methyl-
- Benzothiazole, 4,5,6,7-tetrahydro-7-methyl-
- 104468-47-5
- SCHEMBL8482078
- 7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
-
- Inchi： 1S/C8H11NS/c1-6-3-2-4-7-8(6)10-5-9-7/h5-6H,2-4H2,1H3
- InChI Key： AGHTUFAETQMGJD-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C(C)CCC2
Computed Properties
- Exact Mass: 153.06133
- Monoisotopic Mass: 153.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- 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
- XLogP3: 2.4
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
Benzothiazole,4,5,6,7-tetrahydro-7-methyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
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
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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