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74537-64-7 | 2(3H)-BENZOXAZOLETHIONE, 6-HYDROXY-
CAS No: 74537-64-7 Catalog No: AG01BIK0 MDL No:MFCD28805036
Product Description
Catalog Number:
AG01BIK0
Chemical Name:
2(3H)-BENZOXAZOLETHIONE, 6-HYDROXY-
CAS Number:
74537-64-7
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD28805036
IUPAC Name:
6-hydroxy-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H5NO2S/c9-4-1-2-5-6(3-4)10-7(11)8-5/h1-3,9H,(H,8,11)
InChI Key:
WAXZLARGANPLES-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(n2)S
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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