chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

C2H6ClOPS2 — CID 13358091

IUPACchloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(Cl)SC
InChIInChI=1S/C2H6ClOPS2/c1-4-5(3,6)7-2/h1-2H3
InChIKeyXCMQUBNIWPGBJL-UHFFFAOYSA-N
MW176.63 g/mol
LogP2.46
Rot. Bonds2

About chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 13358091) has the molecular formula C2H6ClOPS2 and a molecular weight of 176.63 g/mol. Its IUPAC name is chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namechloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID13358091
Molecular FormulaC2H6ClOPS2
Molecular Weight176.63 g/mol
Exact Mass175.93
IUPAC Namechloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(Cl)SC
InChIInChI=1S/C2H6ClOPS2/c1-4-5(3,6)7-2/h1-2H3
InChIKeyXCMQUBNIWPGBJL-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 52.46
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 chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (CID 13358091) is chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is COP(=S)(Cl)SC.
What is the InChIKey of chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is XCMQUBNIWPGBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClOPS2/c1-4-5(3,6)7-2/h1-2H3.
What are the key properties of chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 176.63 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13358091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).