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

C9H18OS2 — CID 89211763

IUPAC2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
SMILESC=C(CSCCC)CSCCO
InChIInChI=1S/C9H18OS2/c1-3-5-11-7-9(2)8-12-6-4-10/h10H,2-8H2,1H3
InChIKeyZESCSOJZHSQUBO-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.41
Rot. Bonds8

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

2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol (PubChem CID 89211763) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
PubChem CID89211763
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
SMILESC=C(CSCCC)CSCCO
InChIInChI=1S/C9H18OS2/c1-3-5-11-7-9(2)8-12-6-4-10/h10H,2-8H2,1H3
InChIKeyZESCSOJZHSQUBO-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
The IUPAC name of 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol (CID 89211763) is 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol is C=C(CSCCC)CSCCO.
What is the InChIKey of 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
The InChIKey is ZESCSOJZHSQUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2/c1-3-5-11-7-9(2)8-12-6-4-10/h10H,2-8H2,1H3.
What are the key properties of 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol?
2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol has a molecular weight of 206.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol is sourced from PubChem (CID 89211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).