ethane;2-methylsulfanylcyclopenta-1,3-diene

C8H14S — CID 91457223

IUPACethane;2-methylsulfanylcyclopenta-1,3-diene
SMILESCC.CSC1=CCC=C1
InChIInChI=1S/C6H8S.C2H6/c1-7-6-4-2-3-5-6;1-2/h2,4-5H,3H2,1H3;1-2H3
InChIKeyNXUHZQMGEGMKIG-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.22
Rot. Bonds1

About ethane;2-methylsulfanylcyclopenta-1,3-diene

ethane;2-methylsulfanylcyclopenta-1,3-diene (PubChem CID 91457223) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is ethane;2-methylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;2-methylsulfanylcyclopenta-1,3-diene
PubChem CID91457223
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Nameethane;2-methylsulfanylcyclopenta-1,3-diene
SMILESCC.CSC1=CCC=C1
InChIInChI=1S/C6H8S.C2H6/c1-7-6-4-2-3-5-6;1-2/h2,4-5H,3H2,1H3;1-2H3
InChIKeyNXUHZQMGEGMKIG-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylsulfanylcyclopenta-1,3-diene?
The IUPAC name of ethane;2-methylsulfanylcyclopenta-1,3-diene (CID 91457223) is ethane;2-methylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for ethane;2-methylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for ethane;2-methylsulfanylcyclopenta-1,3-diene is CC.CSC1=CCC=C1.
What is the InChIKey of ethane;2-methylsulfanylcyclopenta-1,3-diene?
The InChIKey is NXUHZQMGEGMKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S.C2H6/c1-7-6-4-2-3-5-6;1-2/h2,4-5H,3H2,1H3;1-2H3.
What are the key properties of ethane;2-methylsulfanylcyclopenta-1,3-diene?
ethane;2-methylsulfanylcyclopenta-1,3-diene has a molecular weight of 142.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 91457223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).