2-phenyl-3,4-dihydro-2H-thiochromene

C15H14S — CID 22251

IUPAC2-phenyl-3,4-dihydro-2H-thiochromene
SMILESc1ccc(C2CCc3ccccc3S2)cc1
InChIInChI=1S/C15H14S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2
InChIKeyNRYGFMAOIPXXBW-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.47
Rot. Bonds1

About 2-phenyl-3,4-dihydro-2H-thiochromene

2-phenyl-3,4-dihydro-2H-thiochromene (PubChem CID 22251) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-thiochromene
PubChem CID22251
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name2-phenyl-3,4-dihydro-2H-thiochromene
SMILESc1ccc(C2CCc3ccccc3S2)cc1
InChIInChI=1S/C15H14S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2
InChIKeyNRYGFMAOIPXXBW-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioxanthene
CID 67495
Benzyl phenyl sulfide
CID 13255
Benzyl phenyl sulfoxide
CID 239581
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
2,2-Diphenyl-1,3-dithiane
CID 364841
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Phenyl styryl sulfide
CID 611297
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
Dibenzo[b,f]thiepin
CID 136074
Dibenzo(b,e)thiepin, 6,11-dihydro-
CID 136947
9H-thioxanthene 10-oxide
CID 5324695

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-thiochromene (CID 22251) is 2-phenyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-thiochromene is c1ccc(C2CCc3ccccc3S2)cc1.
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-thiochromene?
The InChIKey is NRYGFMAOIPXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2.
What are the key properties of 2-phenyl-3,4-dihydro-2H-thiochromene?
2-phenyl-3,4-dihydro-2H-thiochromene has a molecular weight of 226.34 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 22251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).