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96426-78-7 | 7-BENZO[D]THIAZOLETHIOL
CAS No: 96426-78-7 Catalog No: AG00674D MDL No:
Product Description
Catalog Number:
AG00674D
Chemical Name:
7-BENZO[D]THIAZOLETHIOL
CAS Number:
96426-78-7
Molecular Formula:
C7H5NS2
Molecular Weight:
167.2513
IUPAC Name:
1,3-benzothiazole-7-thiol
InChI:
InChI=1S/C7H5NS2/c9-6-3-1-2-5-7(6)10-4-8-5/h1-4,9H
InChI Key:
KLPSQNZXKWHFER-UHFFFAOYSA-N
SMILES:
Sc1cccc2c1scn2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.244g/mol
Monoisotopic Mass:
166.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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