3-methylsulfanylprop-2-en-1-ol

C4H8OS — CID 71331946

IUPAC3-methylsulfanylprop-2-en-1-ol
SMILESCSC=CCO
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5/h2,4-5H,3H2,1H3
InChIKeyPNBKYJIFQHXTLW-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.86
Rot. Bonds2

About 3-methylsulfanylprop-2-en-1-ol

3-methylsulfanylprop-2-en-1-ol (PubChem CID 71331946) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 3-methylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name3-methylsulfanylprop-2-en-1-ol
PubChem CID71331946
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name3-methylsulfanylprop-2-en-1-ol
SMILESCSC=CCO
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5/h2,4-5H,3H2,1H3
InChIKeyPNBKYJIFQHXTLW-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylprop-2-en-1-ol?
The IUPAC name of 3-methylsulfanylprop-2-en-1-ol (CID 71331946) is 3-methylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 3-methylsulfanylprop-2-en-1-ol?
The canonical SMILES for 3-methylsulfanylprop-2-en-1-ol is CSC=CCO.
What is the InChIKey of 3-methylsulfanylprop-2-en-1-ol?
The InChIKey is PNBKYJIFQHXTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-4-2-3-5/h2,4-5H,3H2,1H3.
What are the key properties of 3-methylsulfanylprop-2-en-1-ol?
3-methylsulfanylprop-2-en-1-ol has a molecular weight of 104.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 71331946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).