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39543-16-3 | Benzothiazole, 2-[(1,1-dimethylethyl)thio]- (9CI)
CAS No: 39543-16-3 Catalog No: AG00CPAU MDL No:
Product Description
Catalog Number:
AG00CPAU
Chemical Name:
Benzothiazole, 2-[(1,1-dimethylethyl)thio]- (9CI)
CAS Number:
39543-16-3
IUPAC Name:
2-tert-butylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS2/c1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
InChI Key:
OBNJMMOIUUIFCV-UHFFFAOYSA-N
UNII:
DJP3029XXT
NSC Number:
202404
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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