1-ethylsulfanylcyclopentene

C7H12S — CID 13244648

IUPAC1-ethylsulfanylcyclopentene
SMILESCCSC1=CCCC1
InChIInChI=1S/C7H12S/c1-2-8-7-5-3-4-6-7/h5H,2-4,6H2,1H3
InChIKeyRYEMBWWSJIIGSD-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.81
Rot. Bonds2

About 1-ethylsulfanylcyclopentene

1-ethylsulfanylcyclopentene (PubChem CID 13244648) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-ethylsulfanylcyclopentene.

Molecular Properties

Compound Name1-ethylsulfanylcyclopentene
PubChem CID13244648
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name1-ethylsulfanylcyclopentene
SMILESCCSC1=CCCC1
InChIInChI=1S/C7H12S/c1-2-8-7-5-3-4-6-7/h5H,2-4,6H2,1H3
InChIKeyRYEMBWWSJIIGSD-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-prop-2-enylsulfanylcyclohexene
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1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene
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1-[3-(cyclohexen-1-ylsulfanyl)propyl]pyrrolidine
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1-(methylsulfanylmethyl)cyclopentene
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CID 58718212
CID 58718212
cyclopentenylsilane
CID 57321260
(1R)-1-(cyclopenten-1-yl)propan-1-amine
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1-(cyclopenten-1-yl)cyclooctene
CID 91463872
1-ethylsulfanyl-2-methylcyclopentene
CID 123614943
(1E,3Z)-1-ethylsulfanylcycloocta-1,3,6-triene
CID 166109066
1-pentan-2-ylcyclopentene
CID 21242449

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylcyclopentene?
The IUPAC name of 1-ethylsulfanylcyclopentene (CID 13244648) is 1-ethylsulfanylcyclopentene.
What is the SMILES notation for 1-ethylsulfanylcyclopentene?
The canonical SMILES for 1-ethylsulfanylcyclopentene is CCSC1=CCCC1.
What is the InChIKey of 1-ethylsulfanylcyclopentene?
The InChIKey is RYEMBWWSJIIGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-2-8-7-5-3-4-6-7/h5H,2-4,6H2,1H3.
What are the key properties of 1-ethylsulfanylcyclopentene?
1-ethylsulfanylcyclopentene has a molecular weight of 128.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylcyclopentene is sourced from PubChem (CID 13244648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).