2-(({3-oxo-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl)acetic acid, 95%

cas: 731826-75-8 — see every product listed under this CAS number, including other names

2-(({3-oxo-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl)acetic acid, 95% (CAS 731826-75-8) is a chemical reagent available from Chemat. Available pack sizes: 10g. Offered by: AmBeed.

• 2D
• 3D

2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid (CAS 731826-75-8) is a chemical compound with the molecular formula C13H14N2O3S2 and a molecular weight of 310.4 g/mol. IUPAC name: 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid. InChIKey: LEPVNFQTWXVSFW-UHFFFAOYSA-N.

Identity

Molecular formula	C13H14N2O3S2
Molecular weight	310.4 g/mol
IUPAC name	2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
InChIKey	LEPVNFQTWXVSFW-UHFFFAOYSA-N
SMILES	C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSCC(=O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)

3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanoic acid C₁₃H₁₄N₂O₃S₂

2-[(11-ethyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid C₁₃H₁₄N₂O₃S₂