Carbonic acid, 2,6-dimethoxy-4-(4-thiomorpholinylcarbonyl)phenyl ethyl ester
Basic information
- CAS
50916-09-1- Standard SMILES
CCOC(=O)Oc1c(OC)cc(C(=O)N2CCSCC2)cc1OC- InChIKey
DCESASHHEPMRJE-UHFFFAOYSA-N- Molecular formula
- C16H21NO6S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.10895856
Names & identifiers
- Preferred name
- Carbonic acid, 2,6-dimethoxy-4-(4-thiomorpholinylcarbonyl)phenyl ethyl ester
- IUPAC
- [2,6-dimethoxy-4-(thiomorpholine-4-carbonyl)phenyl] ethyl carbonate
Names & synonyms
BRN 116757050916-09-1Carbonic acid, 2,6-dimethoxy-4-(4-thiomorpholinylcarbonyl)phenyl ethyl esterDTXSID40198955Ethyl 2,6-dimethoxy-4-(4-thiomorpholinylcarbonyl)phenylcarbonateRefChem:333350DTXCID001214462,6-DIMETHOXY-4-(THIOMORPHOLINE-4-CARBONYL)PHENYL ETHYL CARBONATE
Database identifiers
- CAS
50916-09-1- PubChem CID
- 3039677
- DTXSID
DTXSID40198955
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
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Compound notes
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