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126322-22-3 | 2(3H)-Benzothiazolethione,4-hydroxy-(9CI)
CAS No: 126322-22-3 Catalog No: AG00AH2E MDL No:
Product Description
Catalog Number:
AG00AH2E
Chemical Name:
2(3H)-Benzothiazolethione,4-hydroxy-(9CI)
CAS Number:
126322-22-3
IUPAC Name:
4-hydroxy-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H5NOS2/c9-4-2-1-3-5-6(4)8-7(10)11-5/h1-3,9H,(H,8,10)
InChI Key:
NTWWITFVZYGHPD-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:
1.9
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