[(5-{[5-(cyanosulfanyl)thiophen-2-yl]sulfanyl}thiophen-2-yl)sulfanyl]formonitrile

• ChemBase ID: 183950
• Molecular Formular: C10H4N2S5
• Molecular Mass: 312.47716
• Monoisotopic Mass: 311.89780314
• SMILES: c1(sc(SC#N)cc1)Sc1sc(SC#N)cc1
• Canonical SMILES: N#CSc1ccc(s1)Sc1ccc(s1)SC#N
• InChI: InChI=1S/C10H4N2S5/c11-5-13-7-1-3-9(15-7)17-10-4-2-8(16-10)14-6-12/h1-4H
• InChIKey: MEUHDMNGRDNCAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-{[5-(cyanosulfanyl)thiophen-2-yl]sulfanyl}thiophen-2-yl)sulfanyl]formonitrile
• IUPAC Traditional name: [(5-{[5-(cyanosulfanyl)thiophen-2-yl]sulfanyl}thiophen-2-yl)sulfanyl]formonitrile

Database IDs

• PubChem SID: 164239860
• PubChem CID: 1778692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9816628
• LogD (pH = 7.4): 4.9816628
• Log P: 4.9816628
• Molar Refractivity: 77.3241 cm^3
• Polarizability: 29.889324 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds