4-ethylsulfanyl-2-methoxybut-1-ene

C7H14OS — CID 12723536

IUPAC4-ethylsulfanyl-2-methoxybut-1-ene
SMILESC=C(CCSCC)OC
InChIInChI=1S/C7H14OS/c1-4-9-6-5-7(2)8-3/h2,4-6H2,1,3H3
InChIKeyPEBGJCXSENHFAL-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds5

About 4-ethylsulfanyl-2-methoxybut-1-ene

4-ethylsulfanyl-2-methoxybut-1-ene (PubChem CID 12723536) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methoxybut-1-ene.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methoxybut-1-ene
PubChem CID12723536
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name4-ethylsulfanyl-2-methoxybut-1-ene
SMILESC=C(CCSCC)OC
InChIInChI=1S/C7H14OS/c1-4-9-6-5-7(2)8-3/h2,4-6H2,1,3H3
InChIKeyPEBGJCXSENHFAL-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-4-(3,3,3-trifluoropropylsulfanyl)but-1-ene
CID 118034415
6-Ethyl-2,3-dihydro-1,4-oxathiine
CID 14168417
2-Methoxyprop-2-enyl(dimethyl)sulfanium
CID 59553922
4-Methoxy-2,3-dihydrothiophene
CID 70281676
4-Methoxy-3-methyl-2,3-dihydrothiophene
CID 89103220
2-Methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene
CID 123647356
2-(2-Methoxyethylsulfanyl)but-1-ene
CID 123871455
4-(2-Methoxyethylsulfanyl)but-1-ene
CID 130683358
4-But-1-en-2-ylsulfanyl-2-butoxybut-1-ene
CID 134297806
4-methoxy-3,3-dimethyl-2H-thiophene
CID 144510926
3-Ethylsulfanyl-2-methoxyprop-1-ene
CID 10855496
(Z)-1-ethylsulfanyl-2-methoxybut-1-ene
CID 12723545

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-methoxybut-1-ene?
The IUPAC name of 4-ethylsulfanyl-2-methoxybut-1-ene (CID 12723536) is 4-ethylsulfanyl-2-methoxybut-1-ene.
What is the SMILES notation for 4-ethylsulfanyl-2-methoxybut-1-ene?
The canonical SMILES for 4-ethylsulfanyl-2-methoxybut-1-ene is C=C(CCSCC)OC.
What is the InChIKey of 4-ethylsulfanyl-2-methoxybut-1-ene?
The InChIKey is PEBGJCXSENHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-9-6-5-7(2)8-3/h2,4-6H2,1,3H3.
What are the key properties of 4-ethylsulfanyl-2-methoxybut-1-ene?
4-ethylsulfanyl-2-methoxybut-1-ene has a molecular weight of 146.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-methoxybut-1-ene is sourced from PubChem (CID 12723536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).