(E)-3-methylsulfanylprop-2-en-1-ol

C4H8OS — CID 13023534

IUPAC(E)-3-methylsulfanylprop-2-en-1-ol
SMILESCS/C=C/CO
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2+
InChIKeyPNBKYJIFQHXTLW-DUXPYHPUSA-N
MW104.17 g/mol
LogP0.86
Rot. Bonds2

About (E)-3-methylsulfanylprop-2-en-1-ol

(E)-3-methylsulfanylprop-2-en-1-ol (PubChem CID 13023534) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is (E)-3-methylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methylsulfanylprop-2-en-1-ol
PubChem CID13023534
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name(E)-3-methylsulfanylprop-2-en-1-ol
SMILESCS/C=C/CO
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2+
InChIKeyPNBKYJIFQHXTLW-DUXPYHPUSA-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 (E)-3-methylsulfanylprop-2-en-1-ol?
The IUPAC name of (E)-3-methylsulfanylprop-2-en-1-ol (CID 13023534) is (E)-3-methylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-methylsulfanylprop-2-en-1-ol?
The canonical SMILES for (E)-3-methylsulfanylprop-2-en-1-ol is CS/C=C/CO.
What is the InChIKey of (E)-3-methylsulfanylprop-2-en-1-ol?
The InChIKey is PNBKYJIFQHXTLW-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2+.
What are the key properties of (E)-3-methylsulfanylprop-2-en-1-ol?
(E)-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 (E)-3-methylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13023534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).