3-ethylsulfanyl-2-methoxyprop-1-ene

C6H12OS — CID 10855496

IUPAC3-ethylsulfanyl-2-methoxyprop-1-ene
SMILESC=C(CSCC)OC
InChIInChI=1S/C6H12OS/c1-4-8-5-6(2)7-3/h2,4-5H2,1,3H3
InChIKeyXXKUKDWDHHGMSF-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.90
Rot. Bonds4

About 3-ethylsulfanyl-2-methoxyprop-1-ene

3-ethylsulfanyl-2-methoxyprop-1-ene (PubChem CID 10855496) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-methoxyprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfanyl-2-methoxyprop-1-ene
PubChem CID10855496
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-ethylsulfanyl-2-methoxyprop-1-ene
SMILESC=C(CSCC)OC
InChIInChI=1S/C6H12OS/c1-4-8-5-6(2)7-3/h2,4-5H2,1,3H3
InChIKeyXXKUKDWDHHGMSF-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-methoxyprop-1-ene?
The IUPAC name of 3-ethylsulfanyl-2-methoxyprop-1-ene (CID 10855496) is 3-ethylsulfanyl-2-methoxyprop-1-ene.
What is the SMILES notation for 3-ethylsulfanyl-2-methoxyprop-1-ene?
The canonical SMILES for 3-ethylsulfanyl-2-methoxyprop-1-ene is C=C(CSCC)OC.
What is the InChIKey of 3-ethylsulfanyl-2-methoxyprop-1-ene?
The InChIKey is XXKUKDWDHHGMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-4-8-5-6(2)7-3/h2,4-5H2,1,3H3.
What are the key properties of 3-ethylsulfanyl-2-methoxyprop-1-ene?
3-ethylsulfanyl-2-methoxyprop-1-ene has a molecular weight of 132.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-methoxyprop-1-ene is sourced from PubChem (CID 10855496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).