Carbamic acid, dimethyldithio-, tert-butylsulfinyl ester
Basic information
- CAS
67049-87-0- Standard SMILES
CN(C)C(=S)SS(=O)C(C)(C)C- InChIKey
KNRAQMYEKPODSP-UHFFFAOYSA-N- Molecular formula
- C7H15NOS3
- Average molar mass
- 225.4 g/mol
- Monoisotopic mass
- 225.03157762
Names & identifiers
- Preferred name
- Carbamic acid, dimethyldithio-, tert-butylsulfinyl ester
- IUPAC
- tert-butylsulfinyl N,N-dimethylcarbamodithioate
- English name
- tert-Butyl(dimethylaminocarbonothioylthio) sulfoxide
- Molecular formula
- C7H15NOS3
- Molecular weight
- 225.4
Names & synonyms
CARBAMIC ACID, DIMETHYLDITHIO-, tert-BUTYLSULFINYL ESTER67049-87-0RefChem:1080902USAF B-20N,N'-Dimethyl-tert-butylsulfenyldithiocarbamateCarbamate, dimethyldithio-, tert-butylsulfinyl-Carbamic acid, dithio-N,N'-dimethyl-tert-butyl sulfenylSCHEMBL11014005tert-Butyl(dimethylaminocarbonothioylthio) sulfoxide2-Propanesulfinothioic acid, 2-methyl-, anhydrosulfide with N,N-dimethylcarbamodithioic acid
Database identifiers
- CAS
67049-87-0- PubChem CID
- 49117
- Nikkaji
- J67.582B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 316.2 · 316.2±25.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 0.53 · 0.53±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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