2-methylsulfinylchromen-4-one

C10H8O3S — CID 86198403

IUPAC2-methylsulfinylchromen-4-one
SMILESCS(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C10H8O3S/c1-14(12)10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3
InChIKeyRJUJULLLDBXQOR-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.53
Rot. Bonds1

About 2-methylsulfinylchromen-4-one

2-methylsulfinylchromen-4-one (PubChem CID 86198403) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-methylsulfinylchromen-4-one.

Molecular Properties

Compound Name2-methylsulfinylchromen-4-one
PubChem CID86198403
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name2-methylsulfinylchromen-4-one
SMILESCS(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C10H8O3S/c1-14(12)10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3
InChIKeyRJUJULLLDBXQOR-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;2-methylchromen-4-one
CID 91311034
2-phenylchromen-4-one
CID 90124083
2-(hydroxymethyl)chromen-4-one
CID 12536095
4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran
CID 126729437
2-(2-methylphenyl)chromen-4-one
CID 776385
2-(ethylamino)chromen-4-one
CID 86025135
copper;2-phenylchromen-4-one
CID 175169427
(4-oxochromen-2-yl) acetate
CID 119083337
2-propoxychromen-4-one
CID 19038250
2-anilinochromen-4-one
CID 10823780
2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one
CID 142130778
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylchromen-4-one?
The IUPAC name of 2-methylsulfinylchromen-4-one (CID 86198403) is 2-methylsulfinylchromen-4-one.
What is the SMILES notation for 2-methylsulfinylchromen-4-one?
The canonical SMILES for 2-methylsulfinylchromen-4-one is CS(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-methylsulfinylchromen-4-one?
The InChIKey is RJUJULLLDBXQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-14(12)10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3.
What are the key properties of 2-methylsulfinylchromen-4-one?
2-methylsulfinylchromen-4-one has a molecular weight of 208.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylchromen-4-one is sourced from PubChem (CID 86198403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).