1-(ethylsulfanylmethyl)cyclopenta-1,3-diene

C8H12S — CID 528326

IUPAC1-(ethylsulfanylmethyl)cyclopenta-1,3-diene
SMILESCCSCC1=CC=CC1
InChIInChI=1S/C8H12S/c1-2-9-7-8-5-3-4-6-8/h3-5H,2,6-7H2,1H3
InChIKeyPZGZDXOKXUUMRO-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.63
Rot. Bonds3

About 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene

1-(ethylsulfanylmethyl)cyclopenta-1,3-diene (PubChem CID 528326) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(ethylsulfanylmethyl)cyclopenta-1,3-diene
PubChem CID528326
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name1-(ethylsulfanylmethyl)cyclopenta-1,3-diene
SMILESCCSCC1=CC=CC1
InChIInChI=1S/C8H12S/c1-2-9-7-8-5-3-4-6-8/h3-5H,2,6-7H2,1H3
InChIKeyPZGZDXOKXUUMRO-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
7-Tetrahydrobenzo[b]thiophene
CID 18315883
Methylcyclopenta[b]thiophene
CID 21095561
Indeno[1,2-b]thiophene
CID 21503772
7,7a-Dihydrobenzothiophen
CID 21584106
Thiaazulene
CID 22111386
4-Ethylthiocyclopentadiene
CID 68403138
Benzocycloheptathiophene
CID 87987742
Indenobenzothiophene
CID 88085883
Dihydro 6h cyclopenta[b]thiophen
CID 89374432
Cyclohepta[c]thiophene
CID 129673588

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene (CID 528326) is 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene is CCSCC1=CC=CC1.
What is the InChIKey of 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene?
The InChIKey is PZGZDXOKXUUMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-9-7-8-5-3-4-6-8/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene?
1-(ethylsulfanylmethyl)cyclopenta-1,3-diene has a molecular weight of 140.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 528326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).