(Z)-1-ethylsulfanyl-3-methoxybut-2-ene

C7H14OS — CID 12723531

IUPAC(Z)-1-ethylsulfanyl-3-methoxybut-2-ene
SMILESCCSC/C=C(/C)OC
InChIInChI=1S/C7H14OS/c1-4-9-6-5-7(2)8-3/h5H,4,6H2,1-3H3/b7-5-
InChIKeyJRDSBQPDHABJBB-ALCCZGGFSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds4

About (Z)-1-ethylsulfanyl-3-methoxybut-2-ene

(Z)-1-ethylsulfanyl-3-methoxybut-2-ene (PubChem CID 12723531) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-3-methoxybut-2-ene.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-3-methoxybut-2-ene
PubChem CID12723531
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-1-ethylsulfanyl-3-methoxybut-2-ene
SMILESCCSC/C=C(/C)OC
InChIInChI=1S/C7H14OS/c1-4-9-6-5-7(2)8-3/h5H,4,6H2,1-3H3/b7-5-
InChIKeyJRDSBQPDHABJBB-ALCCZGGFSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-Methoxyprop-2-enyl(dimethyl)sulfanium
CID 59553922
3-methoxy-2H-thiopyran
CID 70400228
2-(2-Methoxyethylsulfanyl)but-2-ene
CID 123839633
3-Methoxy-2-methyl-2,5-dihydrothiophene
CID 130205381
3-Ethylsulfanyl-2-methoxyprop-1-ene
CID 10855496
(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene
CID 12723532
(Z)-3-methoxy-1-methylsulfanylbut-2-ene
CID 12723535
(E)-2-methoxy-1-methylsulfanylbut-2-ene
CID 12723547
(Z)-1-ethylsulfanyl-2-methoxybut-2-ene
CID 23261294
(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene
CID 23261322
(Z)-1-ethylsulfanyl-3-propan-2-yloxybut-2-ene
CID 23261373
2-methyl-4H-1,3-oxathiine
CID 59875974

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfanyl-3-methoxybut-2-ene?
The IUPAC name of (Z)-1-ethylsulfanyl-3-methoxybut-2-ene (CID 12723531) is (Z)-1-ethylsulfanyl-3-methoxybut-2-ene.
What is the SMILES notation for (Z)-1-ethylsulfanyl-3-methoxybut-2-ene?
The canonical SMILES for (Z)-1-ethylsulfanyl-3-methoxybut-2-ene is CCSC/C=C(/C)OC.
What is the InChIKey of (Z)-1-ethylsulfanyl-3-methoxybut-2-ene?
The InChIKey is JRDSBQPDHABJBB-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-9-6-5-7(2)8-3/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of (Z)-1-ethylsulfanyl-3-methoxybut-2-ene?
(Z)-1-ethylsulfanyl-3-methoxybut-2-ene has a molecular weight of 146.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanyl-3-methoxybut-2-ene is sourced from PubChem (CID 12723531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).