6-chloro-2,3-dimethylthiochromen-4-one

C11H9ClOS — CID 86172878

IUPAC6-chloro-2,3-dimethylthiochromen-4-one
SMILESCc1sc2ccc(Cl)cc2c(=O)c1C
InChIInChI=1S/C11H9ClOS/c1-6-7(2)14-10-4-3-8(12)5-9(10)11(6)13/h3-5H,1-2H3
InChIKeySICDOWQBMKCIBX-UHFFFAOYSA-N
MW224.71 g/mol
LogP3.53
Rot. Bonds

About 6-chloro-2,3-dimethylthiochromen-4-one

6-chloro-2,3-dimethylthiochromen-4-one (PubChem CID 86172878) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is 6-chloro-2,3-dimethylthiochromen-4-one.

Molecular Properties

Compound Name6-chloro-2,3-dimethylthiochromen-4-one
PubChem CID86172878
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name6-chloro-2,3-dimethylthiochromen-4-one
SMILESCc1sc2ccc(Cl)cc2c(=O)c1C
InChIInChI=1S/C11H9ClOS/c1-6-7(2)14-10-4-3-8(12)5-9(10)11(6)13/h3-5H,1-2H3
InChIKeySICDOWQBMKCIBX-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
6-chloro-2-methylthiochromen-4-one
CID 2810162
2-chloro-8,11-dimethylnaphtho[2,3-b]thioxanthen-14-one
CID 59502516
5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 150846661
5-chloro-2-methyl-3-(4-methylphenyl)-1-benzothiophene
CID 4672420
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
3-(2,6-dimethyl-4-oxothiochromen-3-yl)-2,6-dimethylthiochromen-4-one
CID 10385011
2,9,10-trichloronaphtho[2,3-b]thioxanthen-14-one
CID 59502532
3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
2,8,11-trichloronaphtho[2,3-b]thioxanthen-14-one
CID 59502530

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethylthiochromen-4-one?
The IUPAC name of 6-chloro-2,3-dimethylthiochromen-4-one (CID 86172878) is 6-chloro-2,3-dimethylthiochromen-4-one.
What is the SMILES notation for 6-chloro-2,3-dimethylthiochromen-4-one?
The canonical SMILES for 6-chloro-2,3-dimethylthiochromen-4-one is Cc1sc2ccc(Cl)cc2c(=O)c1C.
What is the InChIKey of 6-chloro-2,3-dimethylthiochromen-4-one?
The InChIKey is SICDOWQBMKCIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c1-6-7(2)14-10-4-3-8(12)5-9(10)11(6)13/h3-5H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethylthiochromen-4-one?
6-chloro-2,3-dimethylthiochromen-4-one has a molecular weight of 224.71 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethylthiochromen-4-one is sourced from PubChem (CID 86172878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).