Basic information
- CAS
35801-66-2- Standard SMILES
NC(=O)OCC1CSC2(CCCCCCCCCCC2)S1- InChIKey
KSNABPFNWOAKTM-UHFFFAOYSA-N- Molecular formula
- C16H29NO2S2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.16397151
Names & identifiers
- Preferred name
- 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate
- IUPAC
- 1,4-dithiaspiro[4.11]hexadecan-3-ylmethyl carbamate
Names & synonyms
BRN 125402835801-66-21,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamateRefChem:220848DTXSID80957184(1,4-Dithiaspiro[4.11]hexadecan-2-yl)methyl hydrogen carbonimidate
Database identifiers
- CAS
35801-66-2- PubChem CID
- 215501
- DTXSID
DTXSID80957184
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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