dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

C3H9O2PS2 — CID 18065

IUPACdimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)SC
InChIInChI=1S/C3H9O2PS2/c1-4-6(7,5-2)8-3/h1-3H3
InChIKeyILDHFYGNYDICFB-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.87
Rot. Bonds3

About dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 18065) has the molecular formula C3H9O2PS2 and a molecular weight of 172.21 g/mol. Its IUPAC name is dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID18065
Molecular FormulaC3H9O2PS2
Molecular Weight172.21 g/mol
Exact Mass171.98
IUPAC Namedimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)SC
InChIInChI=1S/C3H9O2PS2/c1-4-6(7,5-2)8-3/h1-3H3
InChIKeyILDHFYGNYDICFB-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (CID 18065) is dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is COP(=S)(OC)SC.
What is the InChIKey of dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is ILDHFYGNYDICFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2PS2/c1-4-6(7,5-2)8-3/h1-3H3.
What are the key properties of dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 172.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 18065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).