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32091-51-3 | 2(3H)-Oxazolethione
CAS No: 32091-51-3 Catalog No: AG007HEF MDL No:MFCD06745794
Product Description
Catalog Number:
AG007HEF
Chemical Name:
2(3H)-Oxazolethione
CAS Number:
32091-51-3
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
MDL Number:
MFCD06745794
IUPAC Name:
3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C3H3NOS/c6-3-4-1-2-5-3/h1-2H,(H,4,6)
InChI Key:
CLEJZSNZYFJMKD-UHFFFAOYSA-N
SMILES:
S=c1occ[nH]1
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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