7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene

C22H24S — CID 139563181

IUPAC7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
SMILESC=C(CCC(=C)c1ccc2c(c1)SCCC2)c1cccc(C)c1
InChIInChI=1S/C22H24S/c1-16-6-4-7-20(14-16)17(2)9-10-18(3)21-12-11-19-8-5-13-23-22(19)15-21/h4,6-7,11-12,14-15H,2-3,5,8-10,13H2,1H3
InChIKeyKTPNCUVRGNGBTL-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.54
Rot. Bonds5

About 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene

7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene (PubChem CID 139563181) has the molecular formula C22H24S and a molecular weight of 320.50 g/mol. Its IUPAC name is 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
PubChem CID139563181
Molecular FormulaC22H24S
Molecular Weight320.50 g/mol
Exact Mass320.16
IUPAC Name7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
SMILESC=C(CCC(=C)c1ccc2c(c1)SCCC2)c1cccc(C)c1
InChIInChI=1S/C22H24S/c1-16-6-4-7-20(14-16)17(2)9-10-18(3)21-12-11-19-8-5-13-23-22(19)15-21/h4,6-7,11-12,14-15H,2-3,5,8-10,13H2,1H3
InChIKeyKTPNCUVRGNGBTL-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
CID 139563174
2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
CID 139563257
7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene
CID 139563188
1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine
CID 139563389
2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene
CID 139563176
5-(5-phenylhexa-1,5-dien-2-yl)-2,3-dihydro-1-benzothiophene
CID 138480486
methyl 3,4-dihydro-2H-thiochromene-7-carboxylate
CID 130045362
3-(3-methylphenyl)but-3-enenitrile
CID 166829284
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
CID 174102680
CID 174102680
3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
CID 139563091
2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
CID 117298054

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene?
The IUPAC name of 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene (CID 139563181) is 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene is C=C(CCC(=C)c1ccc2c(c1)SCCC2)c1cccc(C)c1.
What is the InChIKey of 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene?
The InChIKey is KTPNCUVRGNGBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24S/c1-16-6-4-7-20(14-16)17(2)9-10-18(3)21-12-11-19-8-5-13-23-22(19)15-21/h4,6-7,11-12,14-15H,2-3,5,8-10,13H2,1H3.
What are the key properties of 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene?
7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene has a molecular weight of 320.50 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 139563181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).