5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene

C10H10S — CID 100951032

IUPAC5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene
SMILESC1=CC(SC2C=CC=C2)C=C1
InChIInChI=1S/C10H10S/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-10H
InChIKeyAPLKRPPSTSZXBM-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.71
Rot. Bonds2

About 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene

5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene (PubChem CID 100951032) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene
PubChem CID100951032
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene
SMILESC1=CC(SC2C=CC=C2)C=C1
InChIInChI=1S/C10H10S/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-10H
InChIKeyAPLKRPPSTSZXBM-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methylsulfanylcyclopenta-1,3-diene
CID 11984643
Methylcyclopenta[b]thiophene
CID 21095561
4-Ethylthiocyclopentadiene
CID 68403138
Di(1-cyclohepta-2,4,6-trienyl)sulfane
CID 86130057
Thiafulvalene
CID 129698186
5-(2,3-Dihydrothiophen-5-yl)-2,3-dihydrothiophene
CID 134934342
2-Ethyl-1-methylthiophen-1-ium
CID 138976345
9-Thiabicyclo(4.2.1)nona-2,4,7-triene
CID 142030
(3Z)-2-ethylsulfanyl-5-fluorohexa-1,3-diene
CID 155152751
1-Ethylthio-1,3-hexadiene
CID 85939659
Dithienothiocine
CID 129787712
Bis(2,5-diethyl-a-thienyl)methane
CID 129805775

Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene (CID 100951032) is 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene is C1=CC(SC2C=CC=C2)C=C1.
What is the InChIKey of 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene?
The InChIKey is APLKRPPSTSZXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-10H.
What are the key properties of 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene?
5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene has a molecular weight of 162.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-2,4-dien-1-ylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 100951032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).