4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene

C23H22S — CID 10914515

IUPAC4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene
SMILESCc1cccc2c1SC(c1ccccc1)CC2(C)c1ccccc1
InChIInChI=1S/C23H22S/c1-17-10-9-15-20-22(17)24-21(18-11-5-3-6-12-18)16-23(20,2)19-13-7-4-8-14-19/h3-15,21H,16H2,1-2H3
InChIKeyVZYRDPONFLTESO-UHFFFAOYSA-N
MW330.50 g/mol
LogP6.54
Rot. Bonds2

About 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene

4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene (PubChem CID 10914515) has the molecular formula C23H22S and a molecular weight of 330.50 g/mol. Its IUPAC name is 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene
PubChem CID10914515
Molecular FormulaC23H22S
Molecular Weight330.50 g/mol
Exact Mass330.14
IUPAC Name4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene
SMILESCc1cccc2c1SC(c1ccccc1)CC2(C)c1ccccc1
InChIInChI=1S/C23H22S/c1-17-10-9-15-20-22(17)24-21(18-11-5-3-6-12-18)16-23(20,2)19-13-7-4-8-14-19/h3-15,21H,16H2,1-2H3
InChIKeyVZYRDPONFLTESO-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene?
The IUPAC name of 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene (CID 10914515) is 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene.
What is the SMILES notation for 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene?
The canonical SMILES for 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene is Cc1cccc2c1SC(c1ccccc1)CC2(C)c1ccccc1.
What is the InChIKey of 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene?
The InChIKey is VZYRDPONFLTESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22S/c1-17-10-9-15-20-22(17)24-21(18-11-5-3-6-12-18)16-23(20,2)19-13-7-4-8-14-19/h3-15,21H,16H2,1-2H3.
What are the key properties of 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene?
4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene has a molecular weight of 330.50 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene is sourced from PubChem (CID 10914515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).