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178999-25-2 | Benzothiazole, 2-(1,1-dimethylethyl)-7-methyl- (9CI)
CAS No: 178999-25-2 Catalog No: AG00AV2Q MDL No:
Product Description
Catalog Number:
AG00AV2Q
Chemical Name:
Benzothiazole, 2-(1,1-dimethylethyl)-7-methyl- (9CI)
CAS Number:
178999-25-2
IUPAC Name:
2-tert-butyl-7-methyl-1,3-benzothiazole
InChI:
InChI=1S/C12H15NS/c1-8-6-5-7-9-10(8)14-11(13-9)12(2,3)4/h5-7H,1-4H3
InChI Key:
XHYYWHILMDOMFI-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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