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1,2-oxazole-4-carbothioamide

1,2-oxazole-4-carbothioamide

CAS: 68251-67-2

Formula: C4H4N2OS

SMILES: NC(=S)C1=CON=C1

IUPAC: 1,2-oxazole-4-carbothioamide

InChI: InChI=1S/C4H4N2OS/c5-4(8)3-1-6-7-2-3/h1-2H,(H2,5,8)

Composition: C (37.49%), H (3.15%), N (21.86%), O (12.48%), S (25.02%)

Molar Mass: 128.15

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 128.004433931
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GWYHFVWUAHLFNY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.57
Topological Polar Surface Area 52.05
Polarizability 12.54
Ring Count 1
Rotatable Bond Count 1

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98% <2 Days 68251-67-2 $631.35-$4,597.70$631.35$1,147.70$4,597.70
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