(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

C10H14ClOPS2 — CID 18127

IUPAC(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyABDPTAUFTLYLPR-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.80
Rot. Bonds5

About (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane (PubChem CID 18127) has the molecular formula C10H14ClOPS2 and a molecular weight of 280.78 g/mol. Its IUPAC name is (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
PubChem CID18127
Molecular FormulaC10H14ClOPS2
Molecular Weight280.78 g/mol
Exact Mass279.99
IUPAC Name(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyABDPTAUFTLYLPR-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbophenothion
CID 13081
Fonofos
CID 13676
Methyl trithion
CID 13721
Isofenchlorfos
CID 76818
Phosphonodithioic acid, chloromethyl-, S-(p-chlorophenyl) O-isopropyl ester
CID 74386
Phosphonodithioic acid, methyl-, S-(((p-chlorophenyl)thio)methyl) O-methyl ester
CID 87659
Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester
CID 90627
Phosphonodithioic acid, ethyl-, O-ethyl S-phenyl ester, (S)-
CID 9576612
AI 3-10616
CID 6452024
S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate
CID 74387
S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate
CID 74748
S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate
CID 78791

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane (CID 18127) is (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane is CCOP(=S)(CC)Sc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
The InChIKey is ABDPTAUFTLYLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane has a molecular weight of 280.78 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 18127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).