2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol

C8H16O2S2 — CID 87094059

IUPAC2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
SMILESC=C(CSCCO)CSCCO
InChIInChI=1S/C8H16O2S2/c1-8(6-11-4-2-9)7-12-5-3-10/h9-10H,1-7H2
InChIKeyMNAMTZGLQFPLPZ-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.99
Rot. Bonds8

About 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol

2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol (PubChem CID 87094059) has the molecular formula C8H16O2S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
PubChem CID87094059
Molecular FormulaC8H16O2S2
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
SMILESC=C(CSCCO)CSCCO
InChIInChI=1S/C8H16O2S2/c1-8(6-11-4-2-9)7-12-5-3-10/h9-10H,1-7H2
InChIKeyMNAMTZGLQFPLPZ-UHFFFAOYSA-N
XLogP0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol (CID 87094059) is 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol is C=C(CSCCO)CSCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
The InChIKey is MNAMTZGLQFPLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S2/c1-8(6-11-4-2-9)7-12-5-3-10/h9-10H,1-7H2.
What are the key properties of 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol has a molecular weight of 208.35 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol is sourced from PubChem (CID 87094059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).