2-thianthren-2-ylfuran

C16H10OS2 — CID 19906719

IUPAC2-thianthren-2-ylfuran
SMILESc1coc(-c2ccc3c(c2)Sc2ccccc2S3)c1
InChIInChI=1S/C16H10OS2/c1-2-6-14-13(5-1)18-15-8-7-11(10-16(15)19-14)12-4-3-9-17-12/h1-10H
InChIKeySCFOTUVRXGYGDH-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.56
Rot. Bonds1

About 2-thianthren-2-ylfuran

2-thianthren-2-ylfuran (PubChem CID 19906719) has the molecular formula C16H10OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-thianthren-2-ylfuran.

Molecular Properties

Compound Name2-thianthren-2-ylfuran
PubChem CID19906719
Molecular FormulaC16H10OS2
Molecular Weight282.39 g/mol
Exact Mass282.02
IUPAC Name2-thianthren-2-ylfuran
SMILESc1coc(-c2ccc3c(c2)Sc2ccccc2S3)c1
InChIInChI=1S/C16H10OS2/c1-2-6-14-13(5-1)18-15-8-7-11(10-16(15)19-14)12-4-3-9-17-12/h1-10H
InChIKeySCFOTUVRXGYGDH-UHFFFAOYSA-N
XLogP5.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thianthren-2-ylfuran?
The IUPAC name of 2-thianthren-2-ylfuran (CID 19906719) is 2-thianthren-2-ylfuran.
What is the SMILES notation for 2-thianthren-2-ylfuran?
The canonical SMILES for 2-thianthren-2-ylfuran is c1coc(-c2ccc3c(c2)Sc2ccccc2S3)c1.
What is the InChIKey of 2-thianthren-2-ylfuran?
The InChIKey is SCFOTUVRXGYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS2/c1-2-6-14-13(5-1)18-15-8-7-11(10-16(15)19-14)12-4-3-9-17-12/h1-10H.
What are the key properties of 2-thianthren-2-ylfuran?
2-thianthren-2-ylfuran has a molecular weight of 282.39 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thianthren-2-ylfuran is sourced from PubChem (CID 19906719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).