O-propan-2-yl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate

Substructure search Find similar structures

Basic information

CAS: 1861-49-0
Standard SMILES: CC(C)OC(=S)SCC(=O)c1ccc(Br)cc1
InChIKey: BMIIVAPFHMDSKU-UHFFFAOYSA-N
Molecular formula: C12H13BrO2S2
Average molar mass: 333.3 g/mol
Monoisotopic mass: 331.95403

Names & identifiers

Preferred name: O-propan-2-yl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
IUPAC: O-propan-2-yl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate

Names & synonyms

1861-49-0O-propan-2-yl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioateS-[2-(4-Bromophenyl)-2-oxoethyl] O-(propan-2-yl) carbonodithioateNSC275877DTXSID80313721AKOS001613848NSC-2758771-(4-BROMOPHENYL)-2-{[(PROPAN-2-YLOXY)METHANETHIOYL]SULFANYL}ETHAN-1-ONEEU-0004191SR-01000425497SR-01000425497-1

Database identifiers

CAS: 1861-49-0
PubChem CID: 321820
DTXSID: DTXSID80313721
Nikkaji: J3.268.294D

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 83.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 274

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…