1,4-Diazepine-2,3-dithione, 1,4-dimethylperhydro-
Basic information
- CAS
63434-97-9- Standard SMILES
CN1CCCN(C)C(=S)C1=S- InChIKey
GQXMHPUJSWSLQY-UHFFFAOYSA-N- Molecular formula
- C7H12N2S2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.04419074
Names & identifiers
- Preferred name
- 1,4-Diazepine-2,3-dithione, 1,4-dimethylperhydro-
- IUPAC
- 1,4-dimethyl-1,4-diazepane-2,3-dithione
- English name
- 1,4-Diazepine-2,3-dithione, 1,4-dimethyl-perhydro-
- Molecular formula
- C7H12N2S2
- Molecular weight
- 188.32
Names & synonyms
1,4-Diazepine-2,3-dithione, 1,4-dimethylperhydro-63434-97-9DTXSID70212850RefChem:220393DTXCID001353411,4-dimethyl-1,4-diazepane-2,3-dithioneSCHEMBL14428798DB-2158271,4-Dimethyl-perhydro-1,4-diazepine-2,3-dithione1,4-Diazepine-2,3-dithione, 1,4-dimethyl-perhydro-1H-Imidazole, 1-methyl-2-[(1-methylethyl)dithio]-
Database identifiers
- CAS
63434-97-9- PubChem CID
- 144010
- DTXSID
DTXSID70212850- Nikkaji
- J1.048.297F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 306.021 · 306.021±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.188 · 1.188±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.828 · 4.828±0.25(predicted)
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Compound notes
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