hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

C2H7O2PS2 — CID 12572777

IUPAChydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCOP(O)(=S)SC
InChIInChI=1S/C2H7O2PS2/c1-4-5(3,6)7-2/h1-2H3,(H,3,6)
InChIKeyPSRWXHIYWUDGMA-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.21
Rot. Bonds2

About hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 12572777) has the molecular formula C2H7O2PS2 and a molecular weight of 158.18 g/mol. Its IUPAC name is hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID12572777
Molecular FormulaC2H7O2PS2
Molecular Weight158.18 g/mol
Exact Mass157.96
IUPAC Namehydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCOP(O)(=S)SC
InChIInChI=1S/C2H7O2PS2/c1-4-5(3,6)7-2/h1-2H3,(H,3,6)
InChIKeyPSRWXHIYWUDGMA-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
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 hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (CID 12572777) is hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is COP(O)(=S)SC.
What is the InChIKey of hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is PSRWXHIYWUDGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS2/c1-4-5(3,6)7-2/h1-2H3,(H,3,6).
What are the key properties of hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 158.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12572777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).