9H-fluorene;thiophene

C17H14S — CID 66658674

IUPAC9H-fluorene;thiophene
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C13H10.C4H4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1/h1-8H,9H2;1-4H
InChIKeyKGCPXLHLUMOWTK-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.01
Rot. Bonds

About 9H-fluorene;thiophene

9H-fluorene;thiophene (PubChem CID 66658674) has the molecular formula C17H14S and a molecular weight of 250.37 g/mol. Its IUPAC name is 9H-fluorene;thiophene.

Molecular Properties

Compound Name9H-fluorene;thiophene
PubChem CID66658674
Molecular FormulaC17H14S
Molecular Weight250.37 g/mol
Exact Mass250.08
IUPAC Name9H-fluorene;thiophene
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C13H10.C4H4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1/h1-8H,9H2;1-4H
InChIKeyKGCPXLHLUMOWTK-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;thiophene?
The IUPAC name of 9H-fluorene;thiophene (CID 66658674) is 9H-fluorene;thiophene.
What is the SMILES notation for 9H-fluorene;thiophene?
The canonical SMILES for 9H-fluorene;thiophene is c1ccc2c(c1)Cc1ccccc1-2.c1ccsc1.
What is the InChIKey of 9H-fluorene;thiophene?
The InChIKey is KGCPXLHLUMOWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1/h1-8H,9H2;1-4H.
What are the key properties of 9H-fluorene;thiophene?
9H-fluorene;thiophene has a molecular weight of 250.37 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;thiophene is sourced from PubChem (CID 66658674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).