(cyanodisulfanyl)carbonitrile

• ChemBase ID: 129864
• Molecular Formular: C2N2S2
• Molecular Mass: 116.1648
• Monoisotopic Mass: 115.95029001
• SMILES: N#CSSC#N
• Canonical SMILES: N#CSSC#N
• InChI: InChI=1S/C2N2S2/c3-1-5-6-2-4
• InChIKey: DTMHTVJOHYTUHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyanodisulfanyl)carbonitrile
• IUPAC Traditional name: thiocyanogen
• Synonyms: Thiocyanogen

Database IDs

• CAS Number: 505-14-6
• PubChem SID: 162224150
• PubChem CID: 68160
• CHEBI ID: 30063
• Chemspider ID: 61468
• Wikipedia Title: Thiocyanogen

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1563432
• LogD (pH = 7.4): 1.1563432
• Log P: 1.1563432
• Molar Refractivity: 28.8982 cm^3
• Polarizability: 10.399979 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true