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Pyrazine-2-carbothioamide

CAT: 0024-sc-264158Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-264158Size:250 mg
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CAS Number
4604-72-2

Chemical Information

Pyrazinethiocarboxamide
CAS Number4604-72-2
PubChem CID2797467
IUPAC Namepyrazine-2-carbothioamide
Molecular FormulaC5H5N3S
Molecular Weight139.18
XLogP0
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity115
SMILES
C1=CN=C(C=N1)C(=S)N
InChI
InChI=1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey
LIURPUMROGYCLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrazinethiocarboxamide
CAS: 4604-72-2
CID: 2797467
Formula: C5H5N3S
MW: 139.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.18
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.02041835
Monoisotopic Mass139.02041835
Topological Polar Surface Area83.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes