Basic information
- CAS
63580-26-7- Standard SMILES
CN(C)C(=S)SCC#CCSC(=S)N(C)C- InChIKey
ZZKMEFLNROQYQS-UHFFFAOYSA-N- Molecular formula
- C10H16N2S4
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.01963321
Names & identifiers
- Preferred name
- But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)
- IUPAC
- 4-(dimethylcarbamothioylsulfanyl)but-2-ynyl N,N-dimethylcarbamodithioate
- English name
- Bis(N,N-dimethyldithiocarbamic acid)2-butyne-1,4-diyl ester
- Molecular formula
- C10H16N2S4
- Molecular weight
- 292.51
Names & synonyms
63580-26-7DTXSID40979802but-2-yne-1,4-diyl bis(dimethylcarbamodithioate)RefChem:1080226DTXCID4014070871,4-Bis(dimethyldithiocarbamoyl)but-2-yneBis(N,N-dimethyldithiocarbamic acid) 2-butynylene esterCARBAMIC ACID, BIS(N,N-DIMETHYLDITHIO-, 2-BUTYNYLENE ESTERBis(N,N-dimethyldithiocarbamic acid)2-butyne-1,4-diyl esterCarbamodithioic acid, dimethyl-, 2-butyne-1,4-diyl ester (9CI)
Database identifiers
- CAS
63580-26-7- PubChem CID
- 44559
- DTXSID
DTXSID40979802- Nikkaji
- J67.529F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 383.9 · 383.9±52.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 1.1 · 1.10±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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