1-silylpropane-1-sulfinic acid

C3H10O2SSi — CID 174906220

IUPAC1-silylpropane-1-sulfinic acid
SMILESCCC([SiH3])S(=O)O
InChIInChI=1S/C3H10O2SSi/c1-2-3(7)6(4)5/h3H,2H2,1,7H3,(H,4,5)
InChIKeyGDFTXFFZTWLXHM-UHFFFAOYSA-N
MW138.26 g/mol
LogP-0.69
Rot. Bonds2

About 1-silylpropane-1-sulfinic acid

1-silylpropane-1-sulfinic acid (PubChem CID 174906220) has the molecular formula C3H10O2SSi and a molecular weight of 138.26 g/mol. Its IUPAC name is 1-silylpropane-1-sulfinic acid.

Molecular Properties

Compound Name1-silylpropane-1-sulfinic acid
PubChem CID174906220
Molecular FormulaC3H10O2SSi
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Name1-silylpropane-1-sulfinic acid
SMILESCCC([SiH3])S(=O)O
InChIInChI=1S/C3H10O2SSi/c1-2-3(7)6(4)5/h3H,2H2,1,7H3,(H,4,5)
InChIKeyGDFTXFFZTWLXHM-UHFFFAOYSA-N
XLogP-0.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-silylpropane-1-sulfinic acid 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

butane-2-sulfinic acid
CID 12672761
2-oxopentane-3-sulfinic acid
CID 175445539
1-methoxy-1-oxobutane-2-sulfinic acid
CID 91158451
sodium ethanesulfinic acid
CID 19960758
ethane-1,1-disulfinic acid
CID 56623500
1-hydroxypropane-2-sulfinic acid
CID 57120946
1-sulfanylethanesulfinic acid
CID 57298371
ethanol;sulfur trioxide
CID 88617255
3-ethylhexyl hydrogen sulfite
CID 174958639
4-carbamoylhexane-2-sulfinic acid
CID 58120546
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
2,7-dimethyloctane-3,6-disulfinic acid
CID 57011759

Frequently Asked Questions

What is the IUPAC name of 1-silylpropane-1-sulfinic acid?
The IUPAC name of 1-silylpropane-1-sulfinic acid (CID 174906220) is 1-silylpropane-1-sulfinic acid.
What is the SMILES notation for 1-silylpropane-1-sulfinic acid?
The canonical SMILES for 1-silylpropane-1-sulfinic acid is CCC([SiH3])S(=O)O.
What is the InChIKey of 1-silylpropane-1-sulfinic acid?
The InChIKey is GDFTXFFZTWLXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O2SSi/c1-2-3(7)6(4)5/h3H,2H2,1,7H3,(H,4,5).
What are the key properties of 1-silylpropane-1-sulfinic acid?
1-silylpropane-1-sulfinic acid has a molecular weight of 138.26 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylpropane-1-sulfinic acid is sourced from PubChem (CID 174906220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).