5,8-dimethoxy-2-methylsulfanylchromen-4-one

C12H12O4S — CID 134910868

IUPAC5,8-dimethoxy-2-methylsulfanylchromen-4-one
SMILESCOc1ccc(OC)c2c(=O)cc(SC)oc12
InChIInChI=1S/C12H12O4S/c1-14-8-4-5-9(15-2)12-11(8)7(13)6-10(16-12)17-3/h4-6H,1-3H3
InChIKeyTUSRLBDBZVZZJW-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.53
Rot. Bonds3

About 5,8-dimethoxy-2-methylsulfanylchromen-4-one

5,8-dimethoxy-2-methylsulfanylchromen-4-one (PubChem CID 134910868) has the molecular formula C12H12O4S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5,8-dimethoxy-2-methylsulfanylchromen-4-one.

Molecular Properties

Compound Name5,8-dimethoxy-2-methylsulfanylchromen-4-one
PubChem CID134910868
Molecular FormulaC12H12O4S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name5,8-dimethoxy-2-methylsulfanylchromen-4-one
SMILESCOc1ccc(OC)c2c(=O)cc(SC)oc12
InChIInChI=1S/C12H12O4S/c1-14-8-4-5-9(15-2)12-11(8)7(13)6-10(16-12)17-3/h4-6H,1-3H3
InChIKeyTUSRLBDBZVZZJW-UHFFFAOYSA-N
XLogP2.53
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
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methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate
CID 162778633
1,4,5,8-tetramethoxynaphthalene
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2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
5-methoxy-2-(trifluoromethyl)chromen-4-one
CID 134855912
2-amino-5-methoxychromen-4-one
CID 134860119
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
2-methoxycycloprop-2-en-1-one
CID 140769587
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624
2-(3-hydroxypropanoyl)-8-methoxy-5-(2-oxopropyl)chromen-4-one
CID 132522560

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-methylsulfanylchromen-4-one?
The IUPAC name of 5,8-dimethoxy-2-methylsulfanylchromen-4-one (CID 134910868) is 5,8-dimethoxy-2-methylsulfanylchromen-4-one.
What is the SMILES notation for 5,8-dimethoxy-2-methylsulfanylchromen-4-one?
The canonical SMILES for 5,8-dimethoxy-2-methylsulfanylchromen-4-one is COc1ccc(OC)c2c(=O)cc(SC)oc12.
What is the InChIKey of 5,8-dimethoxy-2-methylsulfanylchromen-4-one?
The InChIKey is TUSRLBDBZVZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S/c1-14-8-4-5-9(15-2)12-11(8)7(13)6-10(16-12)17-3/h4-6H,1-3H3.
What are the key properties of 5,8-dimethoxy-2-methylsulfanylchromen-4-one?
5,8-dimethoxy-2-methylsulfanylchromen-4-one has a molecular weight of 252.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-methylsulfanylchromen-4-one is sourced from PubChem (CID 134910868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).