6-chloro-4-ethyl-2H-thiochromene

C11H11ClS — CID 142267841

IUPAC6-chloro-4-ethyl-2H-thiochromene
SMILESCCC1=CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClS/c1-2-8-5-6-13-11-4-3-9(12)7-10(8)11/h3-5,7H,2,6H2,1H3
InChIKeyYRBGAZOLOCBTTP-UHFFFAOYSA-N
MW210.73 g/mol
LogP4.24
Rot. Bonds1

About 6-chloro-4-ethyl-2H-thiochromene

6-chloro-4-ethyl-2H-thiochromene (PubChem CID 142267841) has the molecular formula C11H11ClS and a molecular weight of 210.73 g/mol. Its IUPAC name is 6-chloro-4-ethyl-2H-thiochromene.

Molecular Properties

Compound Name6-chloro-4-ethyl-2H-thiochromene
PubChem CID142267841
Molecular FormulaC11H11ClS
Molecular Weight210.73 g/mol
Exact Mass210.03
IUPAC Name6-chloro-4-ethyl-2H-thiochromene
SMILESCCC1=CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClS/c1-2-8-5-6-13-11-4-3-9(12)7-10(8)11/h3-5,7H,2,6H2,1H3
InChIKeyYRBGAZOLOCBTTP-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-chloro-4-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-2H-thiochromene?
The IUPAC name of 6-chloro-4-ethyl-2H-thiochromene (CID 142267841) is 6-chloro-4-ethyl-2H-thiochromene.
What is the SMILES notation for 6-chloro-4-ethyl-2H-thiochromene?
The canonical SMILES for 6-chloro-4-ethyl-2H-thiochromene is CCC1=CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-ethyl-2H-thiochromene?
The InChIKey is YRBGAZOLOCBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClS/c1-2-8-5-6-13-11-4-3-9(12)7-10(8)11/h3-5,7H,2,6H2,1H3.
What are the key properties of 6-chloro-4-ethyl-2H-thiochromene?
6-chloro-4-ethyl-2H-thiochromene has a molecular weight of 210.73 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-2H-thiochromene is sourced from PubChem (CID 142267841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).