chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane

C3H7Cl2OPS — CID 23412940

IUPACchloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane
SMILESCP(=S)(Cl)OCCCl
InChIInChI=1S/C3H7Cl2OPS/c1-7(5,8)6-3-2-4/h2-3H2,1H3
InChIKeyYGKNTPQGFYXRHB-UHFFFAOYSA-N
MW193.03 g/mol
LogP2.42
Rot. Bonds3

About chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane

chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane (PubChem CID 23412940) has the molecular formula C3H7Cl2OPS and a molecular weight of 193.03 g/mol. Its IUPAC name is chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane
PubChem CID23412940
Molecular FormulaC3H7Cl2OPS
Molecular Weight193.03 g/mol
Exact Mass191.93
IUPAC Namechloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane
SMILESCP(=S)(Cl)OCCCl
InChIInChI=1S/C3H7Cl2OPS/c1-7(5,8)6-3-2-4/h2-3H2,1H3
InChIKeyYGKNTPQGFYXRHB-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene
CID 87118336
2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine
CID 11415204
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
2-chloroethoxy-bis(2,3-dimethylphenoxy)-sulfanylidene-lambda5-phosphane
CID 10916000
bis(2-chloroethoxy)phosphorylformaldehyde
CID 71358055
2-chloroethoxyphosphonamidic acid
CID 154086077
1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
CID 131851562
bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
CID 53306789
chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane
CID 583465
1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane
CID 71380771
1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 156789195
triberyllium bis([2-chloroethoxy(oxido)phosphoryl] phosphate)
CID 173412816

Frequently Asked Questions

What is the IUPAC name of chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane (CID 23412940) is chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane is CP(=S)(Cl)OCCCl.
What is the InChIKey of chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is YGKNTPQGFYXRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2OPS/c1-7(5,8)6-3-2-4/h2-3H2,1H3.
What are the key properties of chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane?
chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 193.03 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-chloroethoxy)-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23412940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).