bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)

C6H10O4P2S4Ti — CID 87309852

IUPACbis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
SMILESC=CCOP([O-])(=S)[S-].C=CCOP([O-])(=S)[S-].[Ti+4]
InChIInChI=1S/2C3H7O2PS2.Ti/c2*1-2-3-5-6(4,7)8;/h2*2H,1,3H2,(H2,4,7,8);/q;;+4/p-4
InChIKeyOEYHDZNLNAMMHW-UHFFFAOYSA-J
MW384.23 g/mol
LogP0.64
Rot. Bonds6

About bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)

bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+) (PubChem CID 87309852) has the molecular formula C6H10O4P2S4Ti and a molecular weight of 384.23 g/mol. Its IUPAC name is bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+).

Molecular Properties

Compound Namebis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
PubChem CID87309852
Molecular FormulaC6H10O4P2S4Ti
Molecular Weight384.23 g/mol
Exact Mass383.84
IUPAC Namebis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
SMILESC=CCOP([O-])(=S)[S-].C=CCOP([O-])(=S)[S-].[Ti+4]
InChIInChI=1S/2C3H7O2PS2.Ti/c2*1-2-3-5-6(4,7)8;/h2*2H,1,3H2,(H2,4,7,8);/q;;+4/p-4
InChIKeyOEYHDZNLNAMMHW-UHFFFAOYSA-J
XLogP0.64
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)?
The IUPAC name of bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+) (CID 87309852) is bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+).
What is the SMILES notation for bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)?
The canonical SMILES for bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+) is C=CCOP([O-])(=S)[S-].C=CCOP([O-])(=S)[S-].[Ti+4].
What is the InChIKey of bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)?
The InChIKey is OEYHDZNLNAMMHW-UHFFFAOYSA-J. The full InChI is InChI=1S/2C3H7O2PS2.Ti/c2*1-2-3-5-6(4,7)8;/h2*2H,1,3H2,(H2,4,7,8);/q;;+4/p-4.
What are the key properties of bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)?
bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+) has a molecular weight of 384.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+) is sourced from PubChem (CID 87309852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).