Basic information
- CAS
86148-27-8- Standard SMILES
Cc1ccc(SC#CSc2ccc(C)cc2)cc1- InChIKey
RBPVFTCBYAQCAT-UHFFFAOYSA-N- Molecular formula
- C16H14S2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.05369279
Overview
See also: 1,2-Bis(P-tolylthio)ethyne (annotation moved to).
Names & identifiers
- Preferred name
- 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene
- IUPAC
- 1-methyl-4-[2-(4-methylphenyl)sulfanylethynylsulfanyl]benzene
- English name
- 1,2-Bis(p-tolylthio)ethyne
- Molecular formula
- C16H14S2
- Molecular weight
- 270.41236
Names & synonyms
86148-27-8NSC403310DTXSID60323186AKOS024324586NSC-4033101,1'-(Ethyne-1,2-diyldisulfanediyl)bis(4-methylbenzene)1-methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene1,1'-[Ethyne-1,2-diylbis(sulfanediyl)]bis(4-methylbenzene)1,2-Bis(p-tolylthio)ethyne
Database identifiers
- CAS
86148-27-8- PubChem CID
- 345604
- DTXSID
DTXSID60323186- Nikkaji
- J1.160.046H
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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