dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

CH5O2PS2 — CID 14693979

IUPACdihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCSP(O)(O)=S
InChIInChI=1S/CH5O2PS2/c1-6-4(2,3)5/h1H3,(H2,2,3,5)
InChIKeyYJVOECXUWYQORY-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.56
Rot. Bonds1

About dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 14693979) has the molecular formula CH5O2PS2 and a molecular weight of 144.16 g/mol. Its IUPAC name is dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID14693979
Molecular FormulaCH5O2PS2
Molecular Weight144.16 g/mol
Exact Mass143.95
IUPAC Namedihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCSP(O)(O)=S
InChIInChI=1S/CH5O2PS2/c1-6-4(2,3)5/h1H3,(H2,2,3,5)
InChIKeyYJVOECXUWYQORY-UHFFFAOYSA-N
XLogP0.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (CID 14693979) is dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is CSP(O)(O)=S.
What is the InChIKey of dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is YJVOECXUWYQORY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O2PS2/c1-6-4(2,3)5/h1H3,(H2,2,3,5).
What are the key properties of dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 144.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14693979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).