Carbamic acid, methyl((3-(2-pyridinyl)propoxy)sulfinyl)-, 3-methylphenyl ester

HCID 55282

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 84603-45-2
Standard SMILES: Cc1cccc(OC(=O)N(C)S(=O)OCCCc2ccccn2)c1
InChIKey: OWVJHRXNPAVEIO-UHFFFAOYSA-N
Molecular formula: C17H20N2O4S
Average molar mass: 348.4 g/mol
Monoisotopic mass: 348.1143783

Names & identifiers

Preferred name: Carbamic acid, methyl((3-(2-pyridinyl)propoxy)sulfinyl)-, 3-methylphenyl ester
IUPAC: (3-methylphenyl) N-methyl-N-(3-pyridin-2-ylpropoxysulfinyl)carbamate

Names & synonyms

84603-45-2Methyl((3-(2-pyridinyl)propoxy)sulfinyl)carbamic acid 3-methylphenyl esterCARBAMIC ACID, METHYL((3-(2-PYRIDINYL)PROPOXY)SULFINYL)-, 3-METHYLPHENYL ESTERRefChem:332490DTXSID5010048803-Methylphenyl methyl{[3-(pyridin-2-yl)propoxy]sulfinyl}carbamate

Database identifiers

CAS: 84603-45-2
PubChem CID: 55282
DTXSID: DTXSID501004880

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 87.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 421

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…