3-[dihydroxy(methyl)silyl]propane-1-thiol

C4H12O2SSi — CID 86176657

IUPAC3-[dihydroxy(methyl)silyl]propane-1-thiol
SMILESC[Si](O)(O)CCCS
InChIInChI=1S/C4H12O2SSi/c1-8(5,6)4-2-3-7/h5-7H,2-4H2,1H3
InChIKeyUKMRMLYCCNFAQX-UHFFFAOYSA-N
MW152.29 g/mol
LogP0.36
Rot. Bonds3

About 3-[dihydroxy(methyl)silyl]propane-1-thiol

3-[dihydroxy(methyl)silyl]propane-1-thiol (PubChem CID 86176657) has the molecular formula C4H12O2SSi and a molecular weight of 152.29 g/mol. Its IUPAC name is 3-[dihydroxy(methyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[dihydroxy(methyl)silyl]propane-1-thiol
PubChem CID86176657
Molecular FormulaC4H12O2SSi
Molecular Weight152.29 g/mol
Exact Mass152.03
IUPAC Name3-[dihydroxy(methyl)silyl]propane-1-thiol
SMILESC[Si](O)(O)CCCS
InChIInChI=1S/C4H12O2SSi/c1-8(5,6)4-2-3-7/h5-7H,2-4H2,1H3
InChIKeyUKMRMLYCCNFAQX-UHFFFAOYSA-N
XLogP0.36
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[dihydroxy(methyl)silyl]propane-1-thiol 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 3-[dihydroxy(methyl)silyl]propane-1-thiol?
The IUPAC name of 3-[dihydroxy(methyl)silyl]propane-1-thiol (CID 86176657) is 3-[dihydroxy(methyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[dihydroxy(methyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[dihydroxy(methyl)silyl]propane-1-thiol is C[Si](O)(O)CCCS.
What is the InChIKey of 3-[dihydroxy(methyl)silyl]propane-1-thiol?
The InChIKey is UKMRMLYCCNFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2SSi/c1-8(5,6)4-2-3-7/h5-7H,2-4H2,1H3.
What are the key properties of 3-[dihydroxy(methyl)silyl]propane-1-thiol?
3-[dihydroxy(methyl)silyl]propane-1-thiol has a molecular weight of 152.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy(methyl)silyl]propane-1-thiol is sourced from PubChem (CID 86176657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).