2-((4,4-Dimethyl-1-oxidothiochroman-6-yl)ethynyl)pyrimidine-5-carboxylic acid, 98+%

cas: 2131803-93-3 — see every product listed under this CAS number, including other names

2-((4,4-Dimethyl-1-oxidothiochroman-6-yl)ethynyl)pyrimidine-5-carboxylic acid, 98+% (CAS 2131803-93-3) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: Fluorochem.

• 2D
• 3D

2-[2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidine-5-carboxylic acid (CAS 2131803-93-3) is a chemical compound with the molecular formula C18H16N2O3S and a molecular weight of 340.4 g/mol. IUPAC name: 2-[2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidine-5-carboxylic acid. InChIKey: NENFGFHRYIOMTM-UHFFFAOYSA-N.

Identity

Molecular formula	C18H16N2O3S
Molecular weight	340.4 g/mol
IUPAC name	2-[2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidine-5-carboxylic acid
InChIKey	NENFGFHRYIOMTM-UHFFFAOYSA-N
SMILES	CC1(CCS(=O)C2=C1C=C(C=C2)C#CC3=NC=C(C=N3)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: 2-((4,4-Dimethyl-1-oxidothiochroman-6-yl)ethynyl)pyrimidine-5-carboxylic acid, orb1220029, orb1298857

Isomers (same molecular formula)

(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one C₁₈H₁₆N₂O₃S

N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide C₁₈H₁₆N₂O₃S

2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid C₁₈H₁₆N₂O₃S

3-(4-ethoxyphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione C₁₈H₁₆N₂O₃S

(5Z)-3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one C₁₈H₁₆N₂O₃S

(Z)-3-(3-acetylanilino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile C₁₈H₁₆N₂O₃S

N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide C₁₈H₁₆N₂O₃S

3-(4-methoxyphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione C₁₈H₁₆N₂O₃S

(E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide C₁₈H₁₆N₂O₃S

ethyl 2-(4-phenoxyanilino)-1,3-thiazole-4-carboxylate C₁₈H₁₆N₂O₃S

N-[4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]phenyl]acetamide C₁₈H₁₆N₂O₃S

[2-[benzyl(methyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate C₁₈H₁₆N₂O₃S