1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate
Basic information
- CAS
25451-41-6- Standard SMILES
CCC(COC(N)=O)(COC(N)=O)c1ccsc1- InChIKey
AKLDSRHPOBDCIM-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.08307817
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-thiophen-3-ylbutyl] carbamate
Names & synonyms
1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate25451-41-6RefChem:10530392-Ethyl-2-(3-thienyl)-1,3-propanediol dicarbamate
Database identifiers
- CAS
25451-41-6- PubChem CID
- 213006
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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