(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol

C4H8O2S — CID 163010143

IUPAC(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol
SMILESC[S@](=O)/C=C/CO
InChIInChI=1S/C4H8O2S/c1-7(6)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+/t7-/m0/s1
InChIKeyIGAOAQJXSUUNIL-XBBYQOBLSA-N
MW120.17 g/mol
LogP-0.13
Rot. Bonds2

About (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol

(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol (PubChem CID 163010143) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol
PubChem CID163010143
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol
SMILESC[S@](=O)/C=C/CO
InChIInChI=1S/C4H8O2S/c1-7(6)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+/t7-/m0/s1
InChIKeyIGAOAQJXSUUNIL-XBBYQOBLSA-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

Analyze (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-methylsulfonylprop-2-en-1-ol
CID 11400800
3-(Methanesulfonyl)prop-2-en-1-ol
CID 71375894
(2E)-(+)-3-(Methylsulfinyl)-2-propen-1-ol
CID 11344011
(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
(Z)-3-methylsulfanylprop-2-en-1-ol
CID 13023535
(E)-3-butylsulfonylprop-2-en-1-ol
CID 13285010
2-Propen-1-ol, 3-(2-propenylthio)
CID 5352856
(Z)-3-ethylsulfanylprop-2-en-1-ol
CID 13331392
(Z)-3-propylsulfanylprop-2-en-1-ol
CID 13331394
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331400
(Z)-3-butylsulfanylprop-2-en-1-ol
CID 15575902
(Z)-3-tert-butylsulfanylprop-2-en-1-ol
CID 15575904

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol (CID 163010143) is (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol is C[S@](=O)/C=C/CO.
What is the InChIKey of (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol?
The InChIKey is IGAOAQJXSUUNIL-XBBYQOBLSA-N. The full InChI is InChI=1S/C4H8O2S/c1-7(6)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+/t7-/m0/s1.
What are the key properties of (E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol?
(E)-3-[(S)-methylsulfinyl]prop-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-[(S)-methylsulfinyl]prop-2-en-1-ol is sourced from PubChem (CID 163010143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).