Basic information
- CAS
35801-62-8- Standard SMILES
CC1(C)SCC(COC(N)=O)S1- InChIKey
NVMAYDSQOSXSJU-UHFFFAOYSA-N- Molecular formula
- C7H13NO2S2
- Average molar mass
- 207.3 g/mol
- Monoisotopic mass
- 207.038771
Names & identifiers
- Preferred name
- 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate
- IUPAC
- (2,2-dimethyl-1,3-dithiolan-4-yl)methyl carbamate
Names & synonyms
35801-62-81,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamateRefChem:1052946BRN 12400872,2-Dimethyl-1,3-dithiolane-4-methanol carbamateDTXSID60957182(2,2-Dimethyl-1,3-dithiolan-4-yl)methyl hydrogen carbonimidate
Database identifiers
- CAS
35801-62-8- PubChem CID
- 215499
- DTXSID
DTXSID60957182
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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