Basic information
- CAS
62778-21-6- Standard SMILES
COc1ccc(COC(=O)Sc2ccccc2)cc1- InChIKey
CMDFIEPFYJDNNW-UHFFFAOYSA-N- Molecular formula
- C15H14O3S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06636548
Names & identifiers
- Preferred name
- Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester
- IUPAC
- (4-methoxyphenyl)methyl phenylsulfanylformate
- English name
- Thiocarbonic acid O-[(4-methoxyphenyl)methyl]S-phenyl ester
- Molecular formula
- C15H14O3S
- Molecular weight
- 274.33
Names & synonyms
Carbonothioic acid, O-((4-methoxyphenyl)methyl) S-phenyl esterDTXSID3069641Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl esterRefChem:574568DTXCID804352762778-21-6CMDFIEPFYJDNNW-UHFFFAOYSA-NO-[(4-Methoxyphenyl)methyl] S-phenyl carbonothioateThiocarbonic acid O-[(4-methoxyphenyl)methyl]S-phenyl ester
Database identifiers
- CAS
62778-21-6- PubChem CID
- 112950
- DTXSID
DTXSID3069641- Nikkaji
- J429.488B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- EPA Substance Registry System
- Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester (62778-21-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…