2-ethenylsulfanylpropane-1,3-diol

C5H10O2S — CID 140740948

IUPAC2-ethenylsulfanylpropane-1,3-diol
SMILESC=CSC(CO)CO
InChIInChI=1S/C5H10O2S/c1-2-8-5(3-6)4-7/h2,5-7H,1,3-4H2
InChIKeyVESCDYPXTDKKAN-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.22
Rot. Bonds4

About 2-ethenylsulfanylpropane-1,3-diol

2-ethenylsulfanylpropane-1,3-diol (PubChem CID 140740948) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-ethenylsulfanylpropane-1,3-diol.

Molecular Properties

Compound Name2-ethenylsulfanylpropane-1,3-diol
PubChem CID140740948
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-ethenylsulfanylpropane-1,3-diol
SMILESC=CSC(CO)CO
InChIInChI=1S/C5H10O2S/c1-2-8-5(3-6)4-7/h2,5-7H,1,3-4H2
InChIKeyVESCDYPXTDKKAN-UHFFFAOYSA-N
XLogP0.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylpropane-1,3-diol?
The IUPAC name of 2-ethenylsulfanylpropane-1,3-diol (CID 140740948) is 2-ethenylsulfanylpropane-1,3-diol.
What is the SMILES notation for 2-ethenylsulfanylpropane-1,3-diol?
The canonical SMILES for 2-ethenylsulfanylpropane-1,3-diol is C=CSC(CO)CO.
What is the InChIKey of 2-ethenylsulfanylpropane-1,3-diol?
The InChIKey is VESCDYPXTDKKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-8-5(3-6)4-7/h2,5-7H,1,3-4H2.
What are the key properties of 2-ethenylsulfanylpropane-1,3-diol?
2-ethenylsulfanylpropane-1,3-diol has a molecular weight of 134.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylpropane-1,3-diol is sourced from PubChem (CID 140740948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).