3-prop-2-enylsulfanylpropane-1,2-diol

C6H12O2S — CID 11600694

IUPAC3-prop-2-enylsulfanylpropane-1,2-diol
SMILESC=CCSCC(O)CO
InChIInChI=1S/C6H12O2S/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChIKeyZULDIVHFCVYYBY-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.26
Rot. Bonds5

About 3-prop-2-enylsulfanylpropane-1,2-diol

3-prop-2-enylsulfanylpropane-1,2-diol (PubChem CID 11600694) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-prop-2-enylsulfanylpropane-1,2-diol
PubChem CID11600694
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3-prop-2-enylsulfanylpropane-1,2-diol
SMILESC=CCSCC(O)CO
InChIInChI=1S/C6H12O2S/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChIKeyZULDIVHFCVYYBY-UHFFFAOYSA-N
XLogP0.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylpropane-1,2-diol?
The IUPAC name of 3-prop-2-enylsulfanylpropane-1,2-diol (CID 11600694) is 3-prop-2-enylsulfanylpropane-1,2-diol.
What is the SMILES notation for 3-prop-2-enylsulfanylpropane-1,2-diol?
The canonical SMILES for 3-prop-2-enylsulfanylpropane-1,2-diol is C=CCSCC(O)CO.
What is the InChIKey of 3-prop-2-enylsulfanylpropane-1,2-diol?
The InChIKey is ZULDIVHFCVYYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2.
What are the key properties of 3-prop-2-enylsulfanylpropane-1,2-diol?
3-prop-2-enylsulfanylpropane-1,2-diol has a molecular weight of 148.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylpropane-1,2-diol is sourced from PubChem (CID 11600694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).