6-chloro-2-methylthiochromen-4-one

C10H7ClOS — CID 2810162

IUPAC6-chloro-2-methylthiochromen-4-one
SMILESCc1cc(=O)c2cc(Cl)ccc2s1
InChIInChI=1S/C10H7ClOS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
InChIKeyZZHSDABWPCCGQM-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.22
Rot. Bonds

About 6-chloro-2-methylthiochromen-4-one

6-chloro-2-methylthiochromen-4-one (PubChem CID 2810162) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 6-chloro-2-methylthiochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-methylthiochromen-4-one
PubChem CID2810162
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name6-chloro-2-methylthiochromen-4-one
SMILESCc1cc(=O)c2cc(Cl)ccc2s1
InChIInChI=1S/C10H7ClOS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
InChIKeyZZHSDABWPCCGQM-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2-methylimidazol-1-yl)thiochromen-4-one
CID 14317530
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
5-chloro-2-methyl-1-benzothiophene
CID 2747689
6-chloro-2-(4-ethoxyphenyl)thiochromen-4-one
CID 154715568
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
2-chloro-8,11-dimethylnaphtho[2,3-b]thioxanthen-14-one
CID 59502516
5-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 150846661

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylthiochromen-4-one?
The IUPAC name of 6-chloro-2-methylthiochromen-4-one (CID 2810162) is 6-chloro-2-methylthiochromen-4-one.
What is the SMILES notation for 6-chloro-2-methylthiochromen-4-one?
The canonical SMILES for 6-chloro-2-methylthiochromen-4-one is Cc1cc(=O)c2cc(Cl)ccc2s1.
What is the InChIKey of 6-chloro-2-methylthiochromen-4-one?
The InChIKey is ZZHSDABWPCCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3.
What are the key properties of 6-chloro-2-methylthiochromen-4-one?
6-chloro-2-methylthiochromen-4-one has a molecular weight of 210.69 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylthiochromen-4-one is sourced from PubChem (CID 2810162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).