[(cyclopropylmethyl)sulfanyl]methanimidamide hydrobromide

• ChemBase ID: 81182
• Molecular Formular: C5H11BrN2S
• Molecular Mass: 211.12324
• Monoisotopic Mass: 209.98263136
• SMILES: N=C(SCC1CC1)N.Br
• Canonical SMILES: NC(=N)SCC1CC1.Br
• InChI: InChI=1S/C5H10N2S.BrH/c6-5(7)8-3-4-1-2-4;/h4H,1-3H2,(H3,6,7);1H
• InChIKey: JLVAXQUEFZTATN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(cyclopropylmethyl)sulfanyl]methanimidamide hydrobromide
• IUPAC Traditional name: (cyclopropylmethyl)sulfanylmethanimidamide hydrobromide
• Synonyms: cyclopropylmethyl aminomethanimidothioate hydrobromide

Database IDs

• MDL Number: MFCD00208474
• PubChem SID: 162068301
• PubChem CID: 2777025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3242745
• LogD (pH = 7.4): -1.2573242
• Log P: 1.0902598
• Molar Refractivity: 46.9705 cm^3
• Polarizability: 14.15948 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true