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885274-32-8 | Oxazole-5-carbothioamide
CAS No: 885274-32-8 Catalog No: AG0046CT MDL No:MFCD04114934
Product Description
Catalog Number:
AG0046CT
Chemical Name:
Oxazole-5-carbothioamide
CAS Number:
885274-32-8
Molecular Formula:
C4H4N2OS
Molecular Weight:
128.1524
MDL Number:
MFCD04114934
IUPAC Name:
1,3-oxazole-5-carbothioamide
InChI:
InChI=1S/C4H4N2OS/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)
InChI Key:
TULKTUDUXQCDLC-UHFFFAOYSA-N
SMILES:
NC(=S)c1cnco1
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:
0.1
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