Silabutane-2-thiol

C3H7SSi — CID 21425877

IUPAC—
SMILESCCC([Si])S
InChIInChI=1S/C3H7SSi/c1-2-3(4)5/h3-4H,2H2,1H3
InChIKeyCMYQXYZMWNLOKN-UHFFFAOYSA-N
MW103.24 g/mol
LogP—
Rot. Bonds1

About Silabutane-2-thiol

Silabutane-2-thiol (PubChem CID 21425877) has the molecular formula C3H7SSi and a molecular weight of 103.24 g/mol.

Molecular Properties

Compound NameSilabutane-2-thiol
PubChem CID21425877
Molecular FormulaC3H7SSi
Molecular Weight103.24 g/mol
Exact Mass103.00
IUPAC Name—
SMILESCCC([Si])S
InChIInChI=1S/C3H7SSi/c1-2-3(4)5/h3-4H,2H2,1H3
InChIKeyCMYQXYZMWNLOKN-UHFFFAOYSA-N
XLogP—
TPSA1.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity22

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze Silabutane-2-thiol with MolForge

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

Launch Full Analysis

Related Compounds

Mercaptopropyl silane
CID 57350108
CID 22973536
CID 22973536
3-Methylsilylpropane-1-thiol
CID 101239093
3-Dimethylsilylpropane-1-thiol
CID 122213464
CID 123516746
CID 123516746
2-Silylethanethiol
CID 123571072
3-(Disilanyl)propane-1-thiol
CID 123642234
3-Butylsilylpropane-1-thiol
CID 150455790
3-[Methyl(sulfanyl)silyl]propane-1-thiol
CID 150871818
Methyl(propylsulfanyl)silane
CID 152259580
2-Dimethylsilylethanethiol
CID 152519229
3-(Disilanylsilyl)propane-1-thiol
CID 152767236

Frequently Asked Questions

What is the IUPAC name of Silabutane-2-thiol?
The IUPAC name of Silabutane-2-thiol (CID 21425877) is not available.
What is the SMILES notation for Silabutane-2-thiol?
The canonical SMILES for Silabutane-2-thiol is CCC([Si])S.
What is the InChIKey of Silabutane-2-thiol?
The InChIKey is CMYQXYZMWNLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7SSi/c1-2-3(4)5/h3-4H,2H2,1H3.
What are the key properties of Silabutane-2-thiol?
Silabutane-2-thiol has a molecular weight of 103.24 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Silabutane-2-thiol is sourced from PubChem (CID 21425877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).