2,3-diphenyl-2H-thiopyran

C17H14S — CID 154137759

IUPAC2,3-diphenyl-2H-thiopyran
SMILESC1=CSC(c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C17H14S/c1-3-8-14(9-4-1)16-12-7-13-18-17(16)15-10-5-2-6-11-15/h1-13,17H
InChIKeyXIUHMWLVNFUAOH-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.07
Rot. Bonds2

About 2,3-diphenyl-2H-thiopyran

2,3-diphenyl-2H-thiopyran (PubChem CID 154137759) has the molecular formula C17H14S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2,3-diphenyl-2H-thiopyran.

Molecular Properties

Compound Name2,3-diphenyl-2H-thiopyran
PubChem CID154137759
Molecular FormulaC17H14S
Molecular Weight250.37 g/mol
Exact Mass250.08
IUPAC Name2,3-diphenyl-2H-thiopyran
SMILESC1=CSC(c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C17H14S/c1-3-8-14(9-4-1)16-12-7-13-18-17(16)15-10-5-2-6-11-15/h1-13,17H
InChIKeyXIUHMWLVNFUAOH-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-phenyl-2H-thiopyran-2-yl) perchlorate
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(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
3-phenyl-2H-pyran-2-carboxamide
CID 150705883
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
CID 142424685
1,6-dimethoxy-5-phenylcyclohexa-2,4-dien-1-amine
CID 174700533
3,4-diphenyl-2,3-dihydrothiophene
CID 14921583
(5-ethynylcyclopenta-1,3-dien-1-yl)benzene
CID 172765009
(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
CID 175483220
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-2H-thiopyran?
The IUPAC name of 2,3-diphenyl-2H-thiopyran (CID 154137759) is 2,3-diphenyl-2H-thiopyran.
What is the SMILES notation for 2,3-diphenyl-2H-thiopyran?
The canonical SMILES for 2,3-diphenyl-2H-thiopyran is C1=CSC(c2ccccc2)C(c2ccccc2)=C1.
What is the InChIKey of 2,3-diphenyl-2H-thiopyran?
The InChIKey is XIUHMWLVNFUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14S/c1-3-8-14(9-4-1)16-12-7-13-18-17(16)15-10-5-2-6-11-15/h1-13,17H.
What are the key properties of 2,3-diphenyl-2H-thiopyran?
2,3-diphenyl-2H-thiopyran has a molecular weight of 250.37 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-2H-thiopyran is sourced from PubChem (CID 154137759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).