Cas no 1342310-71-7 ( )
structure
Product Name:
CAS No:1342310-71-7
MF:C9H9NS
MW:163.239460706711
CID:854961
PubChem ID:19371860
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4,6-DiMethylbenzothiazole
-
-
- Inchi： 1S/C9H9NS/c1-6-3-7(2)9-8(4-6)11-5-10-9/h3-5H,1-2H3
- InChI Key： MTBTXIYPSLTRGQ-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C=C(C)C=C2C
Computed Properties
- Exact Mass: 163.04557046g/mol
- Monoisotopic Mass: 163.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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: 3.1
- Topological Polar Surface Area: 41.1?2
Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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