2-phenyl-4H-thiochromene

C15H12S — CID 12957315

IUPAC2-phenyl-4H-thiochromene
SMILESC1=C(c2ccccc2)Sc2ccccc2C1
InChIInChI=1S/C15H12S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,11H,10H2
InChIKeyYQXGMDHETWBHLV-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.38
Rot. Bonds1

About 2-phenyl-4H-thiochromene

2-phenyl-4H-thiochromene (PubChem CID 12957315) has the molecular formula C15H12S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-phenyl-4H-thiochromene.

Molecular Properties

Compound Name2-phenyl-4H-thiochromene
PubChem CID12957315
Molecular FormulaC15H12S
Molecular Weight224.33 g/mol
Exact Mass224.07
IUPAC Name2-phenyl-4H-thiochromene
SMILESC1=C(c2ccccc2)Sc2ccccc2C1
InChIInChI=1S/C15H12S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,11H,10H2
InChIKeyYQXGMDHETWBHLV-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4H-thiochromene?
The IUPAC name of 2-phenyl-4H-thiochromene (CID 12957315) is 2-phenyl-4H-thiochromene.
What is the SMILES notation for 2-phenyl-4H-thiochromene?
The canonical SMILES for 2-phenyl-4H-thiochromene is C1=C(c2ccccc2)Sc2ccccc2C1.
What is the InChIKey of 2-phenyl-4H-thiochromene?
The InChIKey is YQXGMDHETWBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,11H,10H2.
What are the key properties of 2-phenyl-4H-thiochromene?
2-phenyl-4H-thiochromene has a molecular weight of 224.33 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4H-thiochromene is sourced from PubChem (CID 12957315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).