2-ethylsulfanyl-4-methylsulfanylbut-1-ene

C7H14S2 — CID 154181892

IUPAC2-ethylsulfanyl-4-methylsulfanylbut-1-ene
SMILESC=C(CCSC)SCC
InChIInChI=1S/C7H14S2/c1-4-9-7(2)5-6-8-3/h2,4-6H2,1,3H3
InChIKeyABNYRLGGXFNRFR-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.01
Rot. Bonds5

About 2-ethylsulfanyl-4-methylsulfanylbut-1-ene

2-ethylsulfanyl-4-methylsulfanylbut-1-ene (PubChem CID 154181892) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methylsulfanylbut-1-ene
PubChem CID154181892
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name2-ethylsulfanyl-4-methylsulfanylbut-1-ene
SMILESC=C(CCSC)SCC
InChIInChI=1S/C7H14S2/c1-4-9-7(2)5-6-8-3/h2,4-6H2,1,3H3
InChIKeyABNYRLGGXFNRFR-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12591357
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methyl 2-ethylsulfanyl-N-methylprop-2-enimidothioate
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[amino(ethylsulfanyl)methylidene]azanium
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(E)-2-hydroxy-4-methylsulfanylbut-1-en-1-olate
CID 154603748
3-methylsulfanyl-N-propylpropanamide
CID 60637635
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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methylsulfanylbut-1-ene?
The IUPAC name of 2-ethylsulfanyl-4-methylsulfanylbut-1-ene (CID 154181892) is 2-ethylsulfanyl-4-methylsulfanylbut-1-ene.
What is the SMILES notation for 2-ethylsulfanyl-4-methylsulfanylbut-1-ene?
The canonical SMILES for 2-ethylsulfanyl-4-methylsulfanylbut-1-ene is C=C(CCSC)SCC.
What is the InChIKey of 2-ethylsulfanyl-4-methylsulfanylbut-1-ene?
The InChIKey is ABNYRLGGXFNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-4-9-7(2)5-6-8-3/h2,4-6H2,1,3H3.
What are the key properties of 2-ethylsulfanyl-4-methylsulfanylbut-1-ene?
2-ethylsulfanyl-4-methylsulfanylbut-1-ene has a molecular weight of 162.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methylsulfanylbut-1-ene is sourced from PubChem (CID 154181892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).