3-methylsulfinylpropane-1,2-diol

C4H10O3S — CID 22377909

IUPAC3-methylsulfinylpropane-1,2-diol
SMILESCS(=O)CC(O)CO
InChIInChI=1S/C4H10O3S/c1-8(7)3-4(6)2-5/h4-6H,2-3H2,1H3
InChIKeyMWVCQOCTSYIMLR-UHFFFAOYSA-N
MW138.19 g/mol
LogP-1.28
Rot. Bonds3

About 3-methylsulfinylpropane-1,2-diol

3-methylsulfinylpropane-1,2-diol (PubChem CID 22377909) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-methylsulfinylpropane-1,2-diol.

Molecular Properties

Compound Name3-methylsulfinylpropane-1,2-diol
PubChem CID22377909
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name3-methylsulfinylpropane-1,2-diol
SMILESCS(=O)CC(O)CO
InChIInChI=1S/C4H10O3S/c1-8(7)3-4(6)2-5/h4-6H,2-3H2,1H3
InChIKeyMWVCQOCTSYIMLR-UHFFFAOYSA-N
XLogP-1.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfinylpropane-1,2-diol 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

3-dodecylsulfinylpropane-1,2-diol
CID 154087122
methanethiol;propane-1,2,3-triol
CID 19920877
1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
CID 91491359
2,5-dimethyl-1-methylsulfinylhexan-3-one
CID 146932132
propan-2-yl 2-(2,3-dihydroxypropylsulfinyl)butanoate
CID 123117577
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
methanesulfonic acid;propane-1,2,3-triol
CID 71359937
(2R)-1-methylsulfinylpropan-2-amine
CID 88956942

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylpropane-1,2-diol?
The IUPAC name of 3-methylsulfinylpropane-1,2-diol (CID 22377909) is 3-methylsulfinylpropane-1,2-diol.
What is the SMILES notation for 3-methylsulfinylpropane-1,2-diol?
The canonical SMILES for 3-methylsulfinylpropane-1,2-diol is CS(=O)CC(O)CO.
What is the InChIKey of 3-methylsulfinylpropane-1,2-diol?
The InChIKey is MWVCQOCTSYIMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-8(7)3-4(6)2-5/h4-6H,2-3H2,1H3.
What are the key properties of 3-methylsulfinylpropane-1,2-diol?
3-methylsulfinylpropane-1,2-diol has a molecular weight of 138.19 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpropane-1,2-diol is sourced from PubChem (CID 22377909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).