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5262-63-5 | Benzothiazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI)
CAS No: 5262-63-5 Catalog No: AG00DHJP MDL No:MFCD03161856
Product Description
Catalog Number:
AG00DHJP
Chemical Name:
Benzothiazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI)
CAS Number:
5262-63-5
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD03161856
IUPAC Name:
2,4-dimethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3
InChI Key:
JKUXVIGPUOXPMM-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)cccc2C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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