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175334-72-2 | 5-Isoxazolecarbothioamide
CAS No: 175334-72-2 Catalog No: AG0020X7 MDL No:MFCD00276995
Product Description
Catalog Number:
AG0020X7
Chemical Name:
5-Isoxazolecarbothioamide
CAS Number:
175334-72-2
Molecular Formula:
C4H4N2OS
Molecular Weight:
128.1524
MDL Number:
MFCD00276995
IUPAC Name:
1,2-oxazole-5-carbothioamide
InChI:
InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
InChI Key:
CEDRGDFENMZKCQ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccno1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.149g/mol
Monoisotopic Mass:
128.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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