cyclopenta[c]thiopyran

C8H6S — CID 584139

IUPACcyclopenta[c]thiopyran
SMILESc1cc2ccscc-2c1
InChIInChI=1S/C8H6S/c1-2-7-4-5-9-6-8(7)3-1/h1-6H
InChIKeyWITCGPMUKHXQGW-UHFFFAOYSA-N
MW134.20 g/mol
LogP2.85
Rot. Bonds

About cyclopenta[c]thiopyran

cyclopenta[c]thiopyran (PubChem CID 584139) has the molecular formula C8H6S and a molecular weight of 134.20 g/mol. Its IUPAC name is cyclopenta[c]thiopyran.

Molecular Properties

Compound Namecyclopenta[c]thiopyran
PubChem CID584139
Molecular FormulaC8H6S
Molecular Weight134.20 g/mol
Exact Mass134.02
IUPAC Namecyclopenta[c]thiopyran
SMILESc1cc2ccscc-2c1
InChIInChI=1S/C8H6S/c1-2-7-4-5-9-6-8(7)3-1/h1-6H
InChIKeyWITCGPMUKHXQGW-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[c]thiopyran?
The IUPAC name of cyclopenta[c]thiopyran (CID 584139) is cyclopenta[c]thiopyran.
What is the SMILES notation for cyclopenta[c]thiopyran?
The canonical SMILES for cyclopenta[c]thiopyran is c1cc2ccscc-2c1.
What is the InChIKey of cyclopenta[c]thiopyran?
The InChIKey is WITCGPMUKHXQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S/c1-2-7-4-5-9-6-8(7)3-1/h1-6H.
What are the key properties of cyclopenta[c]thiopyran?
cyclopenta[c]thiopyran has a molecular weight of 134.20 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[c]thiopyran is sourced from PubChem (CID 584139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).