propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C3H14O6P2S2Ti — CID 175338467

IUPACpropane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCC.OP(O)(O)=S.OP(O)(O)=S.[Ti]
InChIInChI=1S/C3H8.2H3O3PS.Ti/c1-3-2;2*1-4(2,3)5;/h3H2,1-2H3;2*(H3,1,2,3,5);
InChIKeyCSMDHTDYUFNTJS-UHFFFAOYSA-N
MW320.09 g/mol
LogP-0.21
Rot. Bonds

About propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 175338467) has the molecular formula C3H14O6P2S2Ti and a molecular weight of 320.09 g/mol. Its IUPAC name is propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namepropane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID175338467
Molecular FormulaC3H14O6P2S2Ti
Molecular Weight320.09 g/mol
Exact Mass319.92
IUPAC Namepropane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCC.OP(O)(O)=S.OP(O)(O)=S.[Ti]
InChIInChI=1S/C3H8.2H3O3PS.Ti/c1-3-2;2*1-4(2,3)5;/h3H2,1-2H3;2*(H3,1,2,3,5);
InChIKeyCSMDHTDYUFNTJS-UHFFFAOYSA-N
XLogP-0.21
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.09
LogP ≤ 5-0.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 12608714
CID 173186715
CID 173186715
CID 173075577
CID 173075577
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506

Frequently Asked Questions

What is the IUPAC name of propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 175338467) is propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CCC.OP(O)(O)=S.OP(O)(O)=S.[Ti].
What is the InChIKey of propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is CSMDHTDYUFNTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.2H3O3PS.Ti/c1-3-2;2*1-4(2,3)5;/h3H2,1-2H3;2*(H3,1,2,3,5);.
What are the key properties of propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 320.09 g/mol, XLogP of -0.21, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 175338467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).