2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol

C9H18O2S2 — CID 21133536

IUPAC2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol
SMILESC=C(CO)SCCCCSCCO
InChIInChI=1S/C9H18O2S2/c1-9(8-11)13-6-3-2-5-12-7-4-10/h10-11H,1-8H2
InChIKeyWWGYELHCNWHZSS-UHFFFAOYSA-N
MW222.37 g/mol
LogP1.73
Rot. Bonds9

About 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol

2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol (PubChem CID 21133536) has the molecular formula C9H18O2S2 and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol
PubChem CID21133536
Molecular FormulaC9H18O2S2
Molecular Weight222.37 g/mol
Exact Mass222.07
IUPAC Name2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol
SMILESC=C(CO)SCCCCSCCO
InChIInChI=1S/C9H18O2S2/c1-9(8-11)13-6-3-2-5-12-7-4-10/h10-11H,1-8H2
InChIKeyWWGYELHCNWHZSS-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]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

2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(5,6-Dihydro-1,4-dithiin-2-yl)methanol
CID 10725505
2,2'-(Prop-2-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923933
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
2-Butylsulfanylprop-2-en-1-ol
CID 15575918
2-[2-(2-Hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 87094059
[2-[3-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]propylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049373
[2-[2-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]propan-2-ylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049375
[2-[4-[4-(Hydroxymethyl)-1,3-dithiol-2-yl]butyl]-1,3-dithiol-4-yl]methanol
CID 141049385
[2-[4-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]butylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049386
[2-[2-[4-(Hydroxymethyl)-1,3-dithiol-2-yl]ethyl]-1,3-dithiol-4-yl]methanol
CID 141049479

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol?
The IUPAC name of 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol (CID 21133536) is 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol?
The canonical SMILES for 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol is C=C(CO)SCCCCSCCO.
What is the InChIKey of 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol?
The InChIKey is WWGYELHCNWHZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S2/c1-9(8-11)13-6-3-2-5-12-7-4-10/h10-11H,1-8H2.
What are the key properties of 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol?
2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol is sourced from PubChem (CID 21133536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).