5-methylsulfanylcyclopenta-1,3-diene

C6H8S — CID 11984643

IUPAC5-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1C=CC=C1
InChIInChI=1S/C6H8S/c1-7-6-4-2-3-5-6/h2-6H,1H3
InChIKeyUUWMKLUIWDPPFO-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.84
Rot. Bonds1

About 5-methylsulfanylcyclopenta-1,3-diene

5-methylsulfanylcyclopenta-1,3-diene (PubChem CID 11984643) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 5-methylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-methylsulfanylcyclopenta-1,3-diene
PubChem CID11984643
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name5-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1C=CC=C1
InChIInChI=1S/C6H8S/c1-7-6-4-2-3-5-6/h2-6H,1H3
InChIKeyUUWMKLUIWDPPFO-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 5-methylsulfanylcyclopenta-1,3-diene (CID 11984643) is 5-methylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 5-methylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 5-methylsulfanylcyclopenta-1,3-diene is CSC1C=CC=C1.
What is the InChIKey of 5-methylsulfanylcyclopenta-1,3-diene?
The InChIKey is UUWMKLUIWDPPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-7-6-4-2-3-5-6/h2-6H,1H3.
What are the key properties of 5-methylsulfanylcyclopenta-1,3-diene?
5-methylsulfanylcyclopenta-1,3-diene has a molecular weight of 112.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 11984643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).