2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene

C9H14S — CID 22555230

IUPAC2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
SMILESCCSC(C)C1=CCC=C1
InChIInChI=1S/C9H14S/c1-3-10-8(2)9-6-4-5-7-9/h4,6-8H,3,5H2,1-2H3
InChIKeyXURAYVKJNVVFSW-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.01
Rot. Bonds3

About 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene

2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene (PubChem CID 22555230) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
PubChem CID22555230
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
SMILESCCSC(C)C1=CCC=C1
InChIInChI=1S/C9H14S/c1-3-10-8(2)9-6-4-5-7-9/h4,6-8H,3,5H2,1-2H3
InChIKeyXURAYVKJNVVFSW-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
CID 12024246
(1R)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12024248
[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium
CID 137225477
2-ethylsulfanylcyclopenta-1,3-diene
CID 22555381
2-(2-methylheptyl)cyclopenta-1,3-diene
CID 175053083
2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene
CID 87976124
2-heptadecylcyclopenta-1,3-diene
CID 91156945
1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine
CID 142256460
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
CID 135850349
ethane;2-propylcyclopenta-1,3-diene
CID 142052577

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene (CID 22555230) is 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene is CCSC(C)C1=CCC=C1.
What is the InChIKey of 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene?
The InChIKey is XURAYVKJNVVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-10-8(2)9-6-4-5-7-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene?
2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene has a molecular weight of 154.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 22555230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).