3,4-diphenyl-2,3-dihydrothiophene

C16H14S — CID 14921583

IUPAC3,4-diphenyl-2,3-dihydrothiophene
SMILESC1=C(c2ccccc2)C(c2ccccc2)CS1
InChIInChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyRSRJVZHNJFVCFA-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.56
Rot. Bonds2

About 3,4-diphenyl-2,3-dihydrothiophene

3,4-diphenyl-2,3-dihydrothiophene (PubChem CID 14921583) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3,4-diphenyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3,4-diphenyl-2,3-dihydrothiophene
PubChem CID14921583
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name3,4-diphenyl-2,3-dihydrothiophene
SMILESC1=C(c2ccccc2)C(c2ccccc2)CS1
InChIInChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyRSRJVZHNJFVCFA-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
N,3,4-triphenylcyclopent-2-en-1-imine
CID 102409707
(1S,4S,5S,8S)-2,4,6,8-tetraphenylbicyclo[3.3.1]nona-2,6-diene
CID 11122751
1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
CID 142424685
4,5-diphenyl-4,7-dihydro-1,3-dioxepine
CID 123868497
2,4,6-triphenyl-4H-thiopyran
CID 629780
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
2,3-diphenyl-2H-thiopyran
CID 154137759
(4S)-4-phenyl-4,5-dihydro-1,3-thiazole
CID 174834483
(NE)-N-[(1S,4R,5S)-2,4-diphenyl-9-bicyclo[3.3.1]non-2-enylidene]hydroxylamine
CID 98512869

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2,3-dihydrothiophene?
The IUPAC name of 3,4-diphenyl-2,3-dihydrothiophene (CID 14921583) is 3,4-diphenyl-2,3-dihydrothiophene.
What is the SMILES notation for 3,4-diphenyl-2,3-dihydrothiophene?
The canonical SMILES for 3,4-diphenyl-2,3-dihydrothiophene is C1=C(c2ccccc2)C(c2ccccc2)CS1.
What is the InChIKey of 3,4-diphenyl-2,3-dihydrothiophene?
The InChIKey is RSRJVZHNJFVCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-11,16H,12H2.
What are the key properties of 3,4-diphenyl-2,3-dihydrothiophene?
3,4-diphenyl-2,3-dihydrothiophene has a molecular weight of 238.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2,3-dihydrothiophene is sourced from PubChem (CID 14921583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).