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91642-74-9 | Benzothiazole, 6-tert-butyl-2-methyl- (7CI)
CAS No: 91642-74-9 Catalog No: AG00H0PD MDL No:
Product Description
Catalog Number:
AG00H0PD
Chemical Name:
Benzothiazole, 6-tert-butyl-2-methyl- (7CI)
CAS Number:
91642-74-9
IUPAC Name:
6-tert-butyl-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C12H15NS/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8/h5-7H,1-4H3
InChI Key:
QXSHQAKXSYPOPQ-UHFFFAOYSA-N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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