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

C4H8O2S — CID 11344011

IUPAC(E)-3-methylsulfinylprop-2-en-1-ol
SMILESCS(=O)/C=C/CO
InChIInChI=1S/C4H8O2S/c1-7(6)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+
InChIKeyIGAOAQJXSUUNIL-DUXPYHPUSA-N
MW120.17 g/mol
LogP-0.13
Rot. Bonds2

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

(E)-3-methylsulfinylprop-2-en-1-ol (PubChem CID 11344011) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (E)-3-methylsulfinylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methylsulfinylprop-2-en-1-ol
PubChem CID11344011
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(E)-3-methylsulfinylprop-2-en-1-ol
SMILESCS(=O)/C=C/CO
InChIInChI=1S/C4H8O2S/c1-7(6)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+
InChIKeyIGAOAQJXSUUNIL-DUXPYHPUSA-N
XLogP-0.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfinylprop-2-en-1-ol?
The IUPAC name of (E)-3-methylsulfinylprop-2-en-1-ol (CID 11344011) is (E)-3-methylsulfinylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-methylsulfinylprop-2-en-1-ol?
The canonical SMILES for (E)-3-methylsulfinylprop-2-en-1-ol is CS(=O)/C=C/CO.
What is the InChIKey of (E)-3-methylsulfinylprop-2-en-1-ol?
The InChIKey is IGAOAQJXSUUNIL-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H8O2S/c1-7(6)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+.
What are the key properties of (E)-3-methylsulfinylprop-2-en-1-ol?
(E)-3-methylsulfinylprop-2-en-1-ol has a molecular weight of 120.17 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfinylprop-2-en-1-ol is sourced from PubChem (CID 11344011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).