4,7-dimethyl-3,4-dihydro-2H-thiochromene

C11H14S — CID 90315720

IUPAC4,7-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc2c(c1)SCCC2C
InChIInChI=1S/C11H14S/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h3-4,7,9H,5-6H2,1-2H3
InChIKeyFUAMFQMSYTVIEL-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.59
Rot. Bonds

About 4,7-dimethyl-3,4-dihydro-2H-thiochromene

4,7-dimethyl-3,4-dihydro-2H-thiochromene (PubChem CID 90315720) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 4,7-dimethyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name4,7-dimethyl-3,4-dihydro-2H-thiochromene
PubChem CID90315720
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name4,7-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc2c(c1)SCCC2C
InChIInChI=1S/C11H14S/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h3-4,7,9H,5-6H2,1-2H3
InChIKeyFUAMFQMSYTVIEL-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,7-dimethyl-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

Thioxanthene
CID 67495
Benzene, 1-(ethylthio)-3-methyl-
CID 141922
2,5-Dimethylthioanisole
CID 2758660
Thioflavin
CID 22251
Benzene, 1-methyl-3-(2-propenylthio)-
CID 97311
Thiochroman
CID 137415
9H-Thioxanthene, 9,9-dimethyl-
CID 140463
2-(Ethylthio)toluene
CID 242408
Allyl(2-methylphenyl) sulfide
CID 271498
6H-Dibenzo[b,d]thiopyran
CID 308189
2-Methylallyl O-tolyl sulfide
CID 4463825
3,4-Dihydro-6-methyl-2H-1-benzothiopyran
CID 12505468

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 4,7-dimethyl-3,4-dihydro-2H-thiochromene (CID 90315720) is 4,7-dimethyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 4,7-dimethyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 4,7-dimethyl-3,4-dihydro-2H-thiochromene is Cc1ccc2c(c1)SCCC2C.
What is the InChIKey of 4,7-dimethyl-3,4-dihydro-2H-thiochromene?
The InChIKey is FUAMFQMSYTVIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 4,7-dimethyl-3,4-dihydro-2H-thiochromene?
4,7-dimethyl-3,4-dihydro-2H-thiochromene has a molecular weight of 178.30 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 90315720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).