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261709-33-5 | 6-Benzothiazolethiol,5-(1-methylethyl)-(9CI)
CAS No: 261709-33-5 Catalog No: AG00BLVS MDL No:
Product Description
Catalog Number:
AG00BLVS
Chemical Name:
6-Benzothiazolethiol,5-(1-methylethyl)-(9CI)
CAS Number:
261709-33-5
IUPAC Name:
5-propan-2-yl-1,3-benzothiazole-6-thiol
InChI:
InChI=1S/C10H11NS2/c1-6(2)7-3-8-10(4-9(7)12)13-5-11-8/h3-6,12H,1-2H3
InChI Key:
VRZPWIHAIHZQPE-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.325g/mol
Monoisotopic Mass:
209.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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