dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium

C3H7O2PS2Ti — CID 87309853

IUPACdihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium
SMILESC=CCSP(O)(O)=S.[Ti]
InChIInChI=1S/C3H7O2PS2.Ti/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);
InChIKeyMVCBLRHELJGPKG-UHFFFAOYSA-N
MW218.06 g/mol
LogP1.11
Rot. Bonds3

About dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium

dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium (PubChem CID 87309853) has the molecular formula C3H7O2PS2Ti and a molecular weight of 218.06 g/mol. Its IUPAC name is dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium.

Molecular Properties

Compound Namedihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium
PubChem CID87309853
Molecular FormulaC3H7O2PS2Ti
Molecular Weight218.06 g/mol
Exact Mass217.91
IUPAC Namedihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium
SMILESC=CCSP(O)(O)=S.[Ti]
InChIInChI=1S/C3H7O2PS2.Ti/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);
InChIKeyMVCBLRHELJGPKG-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium?
The IUPAC name of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium (CID 87309853) is dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium.
What is the SMILES notation for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium?
The canonical SMILES for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium is C=CCSP(O)(O)=S.[Ti].
What is the InChIKey of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium?
The InChIKey is MVCBLRHELJGPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2PS2.Ti/c1-2-3-8-6(4,5)7;/h2H,1,3H2,(H2,4,5,7);.
What are the key properties of dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium?
dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium has a molecular weight of 218.06 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;titanium is sourced from PubChem (CID 87309853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).