6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one

C12H14O3S — CID 4165166

IUPAC6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one
SMILESCOc1cc2c(cc1OC)C(=O)CC(C)S2
InChIInChI=1S/C12H14O3S/c1-7-4-9(13)8-5-10(14-2)11(15-3)6-12(8)16-7/h5-7H,4H2,1-3H3
InChIKeyDEWXZFBKYPVHDF-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.77
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one

6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one (PubChem CID 4165166) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one
PubChem CID4165166
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one
SMILESCOc1cc2c(cc1OC)C(=O)CC(C)S2
InChIInChI=1S/C12H14O3S/c1-7-4-9(13)8-5-10(14-2)11(15-3)6-12(8)16-7/h5-7H,4H2,1-3H3
InChIKeyDEWXZFBKYPVHDF-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate
CID 596635
2,3-Dihydro-6,7-dimethoxy-4h-1-benzothiopyran-4-one
CID 849531
2-Methoxythioxanthone
CID 617984
7-Methoxythiochroman-4-one
CID 849527
1,2-dimethoxy-9H-thioxanthen-9-one
CID 4600956
2,3-Dihydro-6-methoxy-4H-1-benzothiopyran-4-one
CID 10559726
7-methoxy-2-methyl-2,3-dihydro-4H-thiochromen-4-one
CID 3423606
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanylcarbothioylsulfanylethanone
CID 44427353
6-Methoxy-2-methylthiochromen-4-one
CID 330347
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-
CID 6449197
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-hydroxy-3-methoxyphenyl)methylene)-, (Z)-
CID 6449198
4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (Z)-
CID 6449201

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one (CID 4165166) is 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one is COc1cc2c(cc1OC)C(=O)CC(C)S2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one?
The InChIKey is DEWXZFBKYPVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-7-4-9(13)8-5-10(14-2)11(15-3)6-12(8)16-7/h5-7H,4H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one?
6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one has a molecular weight of 238.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 4165166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).