7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene

C19H20S2 — CID 139563188

IUPAC7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene
SMILESC=C(CCC(=C)c1cccs1)c1ccc2c(c1)SCCC2
InChIInChI=1S/C19H20S2/c1-14(7-8-15(2)18-6-4-12-20-18)17-10-9-16-5-3-11-21-19(16)13-17/h4,6,9-10,12-13H,1-3,5,7-8,11H2
InChIKeyASVYNLQBNHKBKP-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.29
Rot. Bonds5

About 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene

7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene (PubChem CID 139563188) has the molecular formula C19H20S2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene
PubChem CID139563188
Molecular FormulaC19H20S2
Molecular Weight312.50 g/mol
Exact Mass312.10
IUPAC Name7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene
SMILESC=C(CCC(=C)c1cccs1)c1ccc2c(c1)SCCC2
InChIInChI=1S/C19H20S2/c1-14(7-8-15(2)18-6-4-12-20-18)17-10-9-16-5-3-11-21-19(16)13-17/h4,6,9-10,12-13H,1-3,5,7-8,11H2
InChIKeyASVYNLQBNHKBKP-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(5-thiophen-2-ylhexa-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
1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine
CID 139563389
5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole
CID 139563228
5-(5-phenylhexa-1,5-dien-2-yl)-2,3-dihydro-1-benzothiophene
CID 138480486
3,4-dihydro-2H-thiochromen-7-ylboronic acid
CID 171485502
1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol
CID 117295221
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
3,4-dihydro-2H-thiochromene-6-carbonyl chloride
CID 54051226
2-buta-1,3-dien-2-ylthiophene
CID 58963888
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
CID 9479209

Frequently Asked Questions

What is the IUPAC name of 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene?
The IUPAC name of 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene (CID 139563188) is 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene is C=C(CCC(=C)c1cccs1)c1ccc2c(c1)SCCC2.
What is the InChIKey of 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene?
The InChIKey is ASVYNLQBNHKBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20S2/c1-14(7-8-15(2)18-6-4-12-20-18)17-10-9-16-5-3-11-21-19(16)13-17/h4,6,9-10,12-13H,1-3,5,7-8,11H2.
What are the key properties of 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene?
7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene has a molecular weight of 312.50 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 139563188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).