Carbamic acid, methyl((2-pyridinylmethoxy)sulfinyl)-, 3-(1-methylethyl)phenyl ester
Basic information
- CAS
84384-94-1- Standard SMILES
CC(C)c1cccc(OC(=O)N(C)S(=O)OCc2ccccn2)c1- InChIKey
KOOFYRWINFBIHW-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.1143783
Names & identifiers
- Preferred name
- Carbamic acid, methyl((2-pyridinylmethoxy)sulfinyl)-, 3-(1-methylethyl)phenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-methyl-N-(pyridin-2-ylmethoxysulfinyl)carbamate
Names & synonyms
84384-94-1Carbamic acid, methyl((2-pyridinylmethoxy)sulfinyl)-, 3-(1-methylethyl)phenyl esterMethyl((2-pyridinylmethoxy)sulfinyl)carbamic acid 3-(1-methylethyl)phenyl esterRefChem:332488SCHEMBL11259844DTXSID3010046583-(Propan-2-yl)phenyl methyl{[(pyridin-2-yl)methoxy]sulfinyl}carbamate
Database identifiers
- CAS
84384-94-1- PubChem CID
- 55248
- DTXSID
DTXSID301004658
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
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Compound notes
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