6-phenylcyclopenta[b]thiopyran

C14H10S — CID 175596578

IUPAC6-phenylcyclopenta[b]thiopyran
SMILESc1ccc(-c2cc3cccsc-3c2)cc1
InChIInChI=1S/C14H10S/c1-2-5-11(6-3-1)13-9-12-7-4-8-15-14(12)10-13/h1-10H
InChIKeyCITHGSIWUPIIFC-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.52
Rot. Bonds1

About 6-phenylcyclopenta[b]thiopyran

6-phenylcyclopenta[b]thiopyran (PubChem CID 175596578) has the molecular formula C14H10S and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-phenylcyclopenta[b]thiopyran.

Molecular Properties

Compound Name6-phenylcyclopenta[b]thiopyran
PubChem CID175596578
Molecular FormulaC14H10S
Molecular Weight210.30 g/mol
Exact Mass210.05
IUPAC Name6-phenylcyclopenta[b]thiopyran
SMILESc1ccc(-c2cc3cccsc-3c2)cc1
InChIInChI=1S/C14H10S/c1-2-5-11(6-3-1)13-9-12-7-4-8-15-14(12)10-13/h1-10H
InChIKeyCITHGSIWUPIIFC-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenylcyclopenta[b]thiopyran?
The IUPAC name of 6-phenylcyclopenta[b]thiopyran (CID 175596578) is 6-phenylcyclopenta[b]thiopyran.
What is the SMILES notation for 6-phenylcyclopenta[b]thiopyran?
The canonical SMILES for 6-phenylcyclopenta[b]thiopyran is c1ccc(-c2cc3cccsc-3c2)cc1.
What is the InChIKey of 6-phenylcyclopenta[b]thiopyran?
The InChIKey is CITHGSIWUPIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10S/c1-2-5-11(6-3-1)13-9-12-7-4-8-15-14(12)10-13/h1-10H.
What are the key properties of 6-phenylcyclopenta[b]thiopyran?
6-phenylcyclopenta[b]thiopyran has a molecular weight of 210.30 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylcyclopenta[b]thiopyran is sourced from PubChem (CID 175596578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).