1-methylsulfanylcyclopenta-1,3-diene

C6H8S — CID 12068373

IUPAC1-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1=CC=CC1
InChIInChI=1S/C6H8S/c1-7-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKeyFHJNYJWHSBTBMN-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.19
Rot. Bonds1

About 1-methylsulfanylcyclopenta-1,3-diene

1-methylsulfanylcyclopenta-1,3-diene (PubChem CID 12068373) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 1-methylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methylsulfanylcyclopenta-1,3-diene
PubChem CID12068373
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name1-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1=CC=CC1
InChIInChI=1S/C6H8S/c1-7-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKeyFHJNYJWHSBTBMN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 1-methylsulfanylcyclopenta-1,3-diene (CID 12068373) is 1-methylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 1-methylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 1-methylsulfanylcyclopenta-1,3-diene is CSC1=CC=CC1.
What is the InChIKey of 1-methylsulfanylcyclopenta-1,3-diene?
The InChIKey is FHJNYJWHSBTBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-7-6-4-2-3-5-6/h2-4H,5H2,1H3.
What are the key properties of 1-methylsulfanylcyclopenta-1,3-diene?
1-methylsulfanylcyclopenta-1,3-diene has a molecular weight of 112.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 12068373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).