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

C7H14OS — CID 12723545

IUPAC(Z)-1-ethylsulfanyl-2-methoxybut-1-ene
SMILESCCS/C=C(/CC)OC
InChIInChI=1S/C7H14OS/c1-4-7(8-3)6-9-5-2/h6H,4-5H2,1-3H3/b7-6-
InChIKeyRZOZLTDIAIKXGN-SREVYHEPSA-N
MW146.25 g/mol
LogP2.64
Rot. Bonds4

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

(Z)-1-ethylsulfanyl-2-methoxybut-1-ene (PubChem CID 12723545) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-2-methoxybut-1-ene.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-2-methoxybut-1-ene
PubChem CID12723545
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-1-ethylsulfanyl-2-methoxybut-1-ene
SMILESCCS/C=C(/CC)OC
InChIInChI=1S/C7H14OS/c1-4-7(8-3)6-9-5-2/h6H,4-5H2,1-3H3/b7-6-
InChIKeyRZOZLTDIAIKXGN-SREVYHEPSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-ethylsulfanyl-2-methoxybut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfanyl-2-methoxybut-1-ene?
The IUPAC name of (Z)-1-ethylsulfanyl-2-methoxybut-1-ene (CID 12723545) is (Z)-1-ethylsulfanyl-2-methoxybut-1-ene.
What is the SMILES notation for (Z)-1-ethylsulfanyl-2-methoxybut-1-ene?
The canonical SMILES for (Z)-1-ethylsulfanyl-2-methoxybut-1-ene is CCS/C=C(/CC)OC.
What is the InChIKey of (Z)-1-ethylsulfanyl-2-methoxybut-1-ene?
The InChIKey is RZOZLTDIAIKXGN-SREVYHEPSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-7(8-3)6-9-5-2/h6H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-1-ethylsulfanyl-2-methoxybut-1-ene?
(Z)-1-ethylsulfanyl-2-methoxybut-1-ene has a molecular weight of 146.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanyl-2-methoxybut-1-ene is sourced from PubChem (CID 12723545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).