3-ethenylsulfinylbutan-2-ol

C6H12O2S — CID 13291398

IUPAC3-ethenylsulfinylbutan-2-ol
SMILESC=CS(=O)C(C)C(C)O
InChIInChI=1S/C6H12O2S/c1-4-9(8)6(3)5(2)7/h4-7H,1H2,2-3H3
InChIKeyXPNBFXOEWQRPAK-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.65
Rot. Bonds3

About 3-ethenylsulfinylbutan-2-ol

3-ethenylsulfinylbutan-2-ol (PubChem CID 13291398) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-ethenylsulfinylbutan-2-ol.

Molecular Properties

Compound Name3-ethenylsulfinylbutan-2-ol
PubChem CID13291398
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3-ethenylsulfinylbutan-2-ol
SMILESC=CS(=O)C(C)C(C)O
InChIInChI=1S/C6H12O2S/c1-4-9(8)6(3)5(2)7/h4-7H,1H2,2-3H3
InChIKeyXPNBFXOEWQRPAK-UHFFFAOYSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfinylbutan-2-ol
CID 13461385
propan-2-ol;sulfur trioxide
CID 174853571
1-[(S)-methylsulfinyl]ethene
CID 12645971
(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol
CID 13291396
5-hydroxy-4-methylhex-1-en-3-one
CID 174399075
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
cerium;tetrakis(propan-2-ol)
CID 87109563
(2S,3R)-3-aminopent-4-en-2-ol
CID 131375579
tris(propan-2-ol);prop-2-enoic acid;titanium
CID 19993431
3-methyl-4-sulfonylhexa-1,5-diene
CID 21400124
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfinylbutan-2-ol?
The IUPAC name of 3-ethenylsulfinylbutan-2-ol (CID 13291398) is 3-ethenylsulfinylbutan-2-ol.
What is the SMILES notation for 3-ethenylsulfinylbutan-2-ol?
The canonical SMILES for 3-ethenylsulfinylbutan-2-ol is C=CS(=O)C(C)C(C)O.
What is the InChIKey of 3-ethenylsulfinylbutan-2-ol?
The InChIKey is XPNBFXOEWQRPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-9(8)6(3)5(2)7/h4-7H,1H2,2-3H3.
What are the key properties of 3-ethenylsulfinylbutan-2-ol?
3-ethenylsulfinylbutan-2-ol has a molecular weight of 148.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfinylbutan-2-ol is sourced from PubChem (CID 13291398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).