4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol

C8H14O2S — CID 73164933

IUPAC4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol
SMILESCC(O)C=CSC=CC(C)O
InChIInChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3
InChIKeyLHWAUUWPKFTTMR-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.51
Rot. Bonds4

About 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol

4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol (PubChem CID 73164933) has the molecular formula C8H14O2S and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol.

Molecular Properties

Compound Name4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol
PubChem CID73164933
Molecular FormulaC8H14O2S
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol
SMILESCC(O)C=CSC=CC(C)O
InChIInChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3
InChIKeyLHWAUUWPKFTTMR-UHFFFAOYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Methylthio)hexa-1,5-dien-3-ol
CID 5368094
1-(1-Butylsulfanylethenylselanyl)but-3-en-2-ol
CID 11086671
cis-1-Vinylthio-1-buten-3-ol
CID 13042451
cis,cis-Di(3-hydroxy-1-butenyl) sulfide
CID 13042453
cis-Di(3-hydroxy-1-butenyl) sulfide
CID 129878974
(E)-4-methylsulfonylbut-3-en-2-ol
CID 12543472
(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
CID 13042452
1-Sulfanylbut-3-en-2-ol
CID 14249194
(Z)-4-tert-butylsulfanylbut-3-en-2-ol
CID 15575908
(R,E)-4-(tert-butylthio)-3-buten-2-ol
CID 15575909
S-(2-hydroxybut-3-enyl) ethanethioate
CID 19707586
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol?
The IUPAC name of 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol (CID 73164933) is 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol.
What is the SMILES notation for 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol?
The canonical SMILES for 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol is CC(O)C=CSC=CC(C)O.
What is the InChIKey of 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol?
The InChIKey is LHWAUUWPKFTTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3.
What are the key properties of 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol?
4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol has a molecular weight of 174.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybut-1-enylsulfanyl)but-3-en-2-ol is sourced from PubChem (CID 73164933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).