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74537-63-6 | 2(3H)-Benzothiazolethione,6-hydroxy-(9CI)
CAS No: 74537-63-6 Catalog No: AG00FR0H MDL No:MFCD23099217
Product Description
Catalog Number:
AG00FR0H
Chemical Name:
2(3H)-Benzothiazolethione,6-hydroxy-(9CI)
CAS Number:
74537-63-6
MDL Number:
MFCD23099217
IUPAC Name:
6-hydroxy-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H5NOS2/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChI Key:
SZNXHOMOAFJDRV-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.243g/mol
Monoisotopic Mass:
182.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Metabolism of 2-mercaptobenzothiazole by Rhodococcus rhodochrous. | Applied and environmental microbiology 20041001 |
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