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91331-55-4 | Benzothiazole, 6-isopropyl-2-methyl- (7CI)
CAS No: 91331-55-4 Catalog No: AG00H4UG MDL No:
Product Description
Catalog Number:
AG00H4UG
Chemical Name:
Benzothiazole, 6-isopropyl-2-methyl- (7CI)
CAS Number:
91331-55-4
IUPAC Name:
2-methyl-6-propan-2-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-7H,1-3H3
InChI Key:
VIYIYGNVHSOXKC-UHFFFAOYSA-N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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