bis(methylsulfanyl)ethyne

• ChemBase ID: 139023
• Molecular Formular: C4H6S2
• Molecular Mass: 118.22044
• Monoisotopic Mass: 117.99109219
• SMILES: CSC#CSC
• Canonical SMILES: CSC#CSC
• InChI: InChI=1S/C4H6S2/c1-5-3-4-6-2/h1-2H3
• InChIKey: KSVSDVXENFYUCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(methylsulfanyl)ethyne
• IUPAC Traditional name: bis(methylsulfanyl)ethyne
• Synonyms: Poly[bis(methylthio)acetylene]; 聚[双(甲硫基)乙炔]

Database IDs

• CAS Number: 93975-07-6
• MDL Number: MFCD00241418
• PubChem SID: 162233274
• PubChem CID: 143622

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.715
• LogD (pH = 7.4): 1.715
• Log P: 1.715
• Molar Refractivity: 32.0852 cm^3
• Polarizability: 13.166732 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: halogenated hydrocarbons and aromatic solvents: soluble

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Mol. Weight: average Mn ~4,000

DETAILS

Sigma Aldrich - 446009

Application
Forms very stable highly conducting material when irradiated with laser light in thin layers.1
Features and Benefits
A p-type semiconductor.