(4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane

C10H13BrClO2PS — CID 24841621

IUPAC(4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClO2PS/c1-3-13-15(16,14-4-2)10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeySJNBPOMNZKTLLH-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.11
Rot. Bonds5

About (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane

(4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 24841621) has the molecular formula C10H13BrClO2PS and a molecular weight of 343.61 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID24841621
Molecular FormulaC10H13BrClO2PS
Molecular Weight343.61 g/mol
Exact Mass341.92
IUPAC Name(4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClO2PS/c1-3-13-15(16,14-4-2)10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeySJNBPOMNZKTLLH-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane (CID 24841621) is (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is SJNBPOMNZKTLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClO2PS/c1-3-13-15(16,14-4-2)10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane?
(4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 343.61 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 24841621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).