Cas no 17626-87-8 (Benzothiazole,2-(1-methylpropyl)-)
17626-87-8 structure
Product Name:Benzothiazole,2-(1-methylpropyl)-
CAS No:17626-87-8
MF:C11H13NS
MW:191.29262137413
CID:122456
PubChem ID:12209633
Update Time:2025-04-18
Benzothiazole,2-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(1-methylpropyl)-
- Benzothiazole, 2-(1-methylpropyl)- (9CI)
- SCHEMBL21013873
- SCHEMBL1412715
- 2-butan-2-yl-1,3-benzothiazole
- 17626-87-8
-
- Inchi： 1S/C11H13NS/c1-3-8(2)11-12-9-6-4-5-7-10(9)13-11/h4-8H,3H2,1-2H3
- InChI Key： ZTINYSSZVASPQX-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1C(C)CC
Computed Properties
- Exact Mass: 191.07699
- Monoisotopic Mass: 191.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 3.9
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
Benzothiazole,2-(1-methylpropyl)- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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