6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene

C11H12BrClS — CID 66764938

IUPAC6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene
SMILESCC1(C)CCSc2c(Cl)cc(Br)cc21
InChIInChI=1S/C11H12BrClS/c1-11(2)3-4-14-10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyGJJRGLBMAOEJSR-UHFFFAOYSA-N
MW291.64 g/mol
LogP4.88
Rot. Bonds

About 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene

6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene (PubChem CID 66764938) has the molecular formula C11H12BrClS and a molecular weight of 291.64 g/mol. Its IUPAC name is 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene
PubChem CID66764938
Molecular FormulaC11H12BrClS
Molecular Weight291.64 g/mol
Exact Mass289.95
IUPAC Name6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene
SMILESCC1(C)CCSc2c(Cl)cc(Br)cc21
InChIInChI=1S/C11H12BrClS/c1-11(2)3-4-14-10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyGJJRGLBMAOEJSR-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene 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-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene?
The IUPAC name of 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene (CID 66764938) is 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene.
What is the SMILES notation for 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene?
The canonical SMILES for 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene is CC1(C)CCSc2c(Cl)cc(Br)cc21.
What is the InChIKey of 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene?
The InChIKey is GJJRGLBMAOEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClS/c1-11(2)3-4-14-10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene?
6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene has a molecular weight of 291.64 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene is sourced from PubChem (CID 66764938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).