4-Isothioureidobutyronitrile
3-cyanopropyl carbamimidothioate
Molecular Identity
4-Isothioureidobutyronitrile
3-cyanopropyl carbamimidothioate
PubChem CID: 437740
2D Structure
Properties
C5H9N3S
Molecular Formula
143.21
Molecular Weight
g/mol
143.0517
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
99
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
134
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
4-IsothioureidobutyronitrileKEVETRINthioureidobutyronitrileUNII-C3059TG1KNTHIOUREIDOBUTYRONITRILE [WHO-DD]4-(carbamimidoylsulfanyl)butanenitrileRefChem:995273-cyanopropyl carbamimidothioate500863-50-3NSC-525990Carbamimidothioic acid, 3-cyanopropyl esterC3059TG1KN3-cyanopropylcarbamimidothioateSCHEMBL851495CHEMBL4297540
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Isothioureidobutyronitrile
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