Basic information
- CAS
24441-57-4- Standard SMILES
CC(C)OP(=S)(CCl)Sc1ccc(Br)cc1- InChIKey
CGTRGCRJUUAHGF-UHFFFAOYSA-N- Molecular formula
- C10H13BrClOPS2
- Average molar mass
- 359.7 g/mol
- Monoisotopic mass
- 357.90173
Names & identifiers
- Preferred name
- Phosphonodithioic acid, chloromethyl-, S-(p-bromophenyl) o-isopropyl ester
- IUPAC
- (4-bromophenyl)sulfanyl-(chloromethyl)-propan-2-yloxy-sulfanylidene-λ5-phosphane
- English name
- (Chloromethyl)phosphonodithioic acid S-(p-bromophenyl)O-isopropyl ester
- Molecular formula
- C10H13BrClOPS2
- Molecular weight
- 359.67
Names & synonyms
24441-57-4Phosphonodithioic acid, chloromethyl-, S-(p-bromophenyl) o-isopropyl esterRefChem:1095238BRN 2125509O-Isopropyl-S-(p-bromophenyl) chloromethylphosphonodithioateDTXSID50947310S-(4-Bromophenyl) O-(propan-2-yl) (chloromethyl)phosphonodithioateS-(4-Bromophenyl) O-propan-2-yl (chloromethyl)phosphonodithioate(Chloromethyl)phosphonodithioic acid S-(p-bromophenyl)O-isopropyl esterPhosphonodithioic acid, (chloromethyl)-, S-(p-bromophenyl) O-isopropyl ester (8CI)
Database identifiers
- CAS
24441-57-4- PubChem CID
- 90503
- DTXSID
DTXSID50947310- Nikkaji
- J50.318E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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