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Kevetrin HCl 10mg

CAT: 0628-A13797-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13797-10Size:10 mg
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CAS Number
66592-89-0

Chemical Information

4-Isothioureidobutyronitrile Hydrochloride
CAS Number66592-89-0
PubChem CID49778916
IUPAC Name3-cyanopropyl carbamimidothioate;hydrochloride
Molecular FormulaC5H10ClN3S
Molecular Weight179.67
Topological Polar Surface Area99
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
C(CC#N)CSC(=N)N.Cl
InChI
InChI=1S/C5H9N3S.ClH/c6-3-1-2-4-9-5(7)8;/h1-2,4H2,(H3,7,8);1H
InChIKey
NCXJZJFDQMKRKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isothioureidobutyronitrile Hydrochloride
CAS: 66592-89-0
CID: 49778916
Formula: C5H10ClN3S
MW: 179.67
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight179.67
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass179.0283962
Monoisotopic Mass179.0283962
Topological Polar Surface Area99 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes