1,3-Propanediol, 2-methyl-2-propyl-, dithiocarbamate
Basic information
- CAS
93047-97-3- Standard SMILES
CCCC(C)(CO)CO.NC(=S)S- InChIKey
RCNVVLVYTNEYNM-UHFFFAOYSA-N- Molecular formula
- C8H19NO2S2
- Average molar mass
- 225.4 g/mol
- Monoisotopic mass
- 225.0857212
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-methyl-2-propyl-, dithiocarbamate
- IUPAC
- carbamodithioic acid;2-methyl-2-propylpropane-1,3-diol
Names & synonyms
1,3-Propanediol, 2-methyl-2-propyl-, dithiocarbamate93047-97-3RefChem:1053090BRN 19118632-Methyl-2-propyl-1,3-propanediol bis(thioncarbamate)Thiocarbamic acid, O,O'-(2-methyl-2-propyltrimethylene) esterCarbamic acid, thio-, O,O'-(2-methyl-2-propyltrimethylene) esterDTXSID40918751Carbonimidodithioic acid--2-methyl-2-propylpropane-1,3-diol (1/1)
Database identifiers
- CAS
93047-97-3- PubChem CID
- 44154201
- DTXSID
DTXSID40918751
Properties
Computed structural properties
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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