3-(disulfanyl)propyl-trihydroxysilane;titanium

C3H10O3S2SiTi3 — CID 59217420

IUPAC3-(disulfanyl)propyl-trihydroxysilane;titanium
SMILESO[Si](O)(O)CCCSS.[Ti].[Ti].[Ti]
InChIInChI=1S/C3H10O3S2Si.3Ti/c4-9(5,6)3-1-2-8-7;;;/h4-7H,1-3H2;;;
InChIKeySEIMGLQRAAFNKE-UHFFFAOYSA-N
MW329.93 g/mol
LogP-0.14
Rot. Bonds4

About 3-(disulfanyl)propyl-trihydroxysilane;titanium

3-(disulfanyl)propyl-trihydroxysilane;titanium (PubChem CID 59217420) has the molecular formula C3H10O3S2SiTi3 and a molecular weight of 329.93 g/mol. Its IUPAC name is 3-(disulfanyl)propyl-trihydroxysilane;titanium.

Molecular Properties

Compound Name3-(disulfanyl)propyl-trihydroxysilane;titanium
PubChem CID59217420
Molecular FormulaC3H10O3S2SiTi3
Molecular Weight329.93 g/mol
Exact Mass329.83
IUPAC Name3-(disulfanyl)propyl-trihydroxysilane;titanium
SMILESO[Si](O)(O)CCCSS.[Ti].[Ti].[Ti]
InChIInChI=1S/C3H10O3S2Si.3Ti/c4-9(5,6)3-1-2-8-7;;;/h4-7H,1-3H2;;;
InChIKeySEIMGLQRAAFNKE-UHFFFAOYSA-N
XLogP-0.14
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.93
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)propyl-trihydroxysilane;titanium?
The IUPAC name of 3-(disulfanyl)propyl-trihydroxysilane;titanium (CID 59217420) is 3-(disulfanyl)propyl-trihydroxysilane;titanium.
What is the SMILES notation for 3-(disulfanyl)propyl-trihydroxysilane;titanium?
The canonical SMILES for 3-(disulfanyl)propyl-trihydroxysilane;titanium is O[Si](O)(O)CCCSS.[Ti].[Ti].[Ti].
What is the InChIKey of 3-(disulfanyl)propyl-trihydroxysilane;titanium?
The InChIKey is SEIMGLQRAAFNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3S2Si.3Ti/c4-9(5,6)3-1-2-8-7;;;/h4-7H,1-3H2;;;.
What are the key properties of 3-(disulfanyl)propyl-trihydroxysilane;titanium?
3-(disulfanyl)propyl-trihydroxysilane;titanium has a molecular weight of 329.93 g/mol, XLogP of -0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)propyl-trihydroxysilane;titanium is sourced from PubChem (CID 59217420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).