dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane

C3H7O2PS3 — CID 88715317

IUPACdihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane
SMILESC=CCSSP(O)(O)=S
InChIInChI=1S/C3H7O2PS3/c1-2-3-8-9-6(4,5)7/h2H,1,3H2,(H2,4,5,7)
InChIKeyDGRBRORKTXGGKU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.76
Rot. Bonds4

About dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane

dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 88715317) has the molecular formula C3H7O2PS3 and a molecular weight of 202.26 g/mol. Its IUPAC name is dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID88715317
Molecular FormulaC3H7O2PS3
Molecular Weight202.26 g/mol
Exact Mass201.93
IUPAC Namedihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane
SMILESC=CCSSP(O)(O)=S
InChIInChI=1S/C3H7O2PS3/c1-2-3-8-9-6(4,5)7/h2H,1,3H2,(H2,4,5,7)
InChIKeyDGRBRORKTXGGKU-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane (CID 88715317) is dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane is C=CCSSP(O)(O)=S.
What is the InChIKey of dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is DGRBRORKTXGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2PS3/c1-2-3-8-9-6(4,5)7/h2H,1,3H2,(H2,4,5,7).
What are the key properties of dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane?
dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 202.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(prop-2-enyldisulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88715317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).