([(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio)acetic acid, 95%

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

([(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio)acetic acid, 95% (CAS 731826-75-8) is a chemical reagent available from Chemat. Available pack sizes: 5g, 1g, 10g, 250mg, 100mg. Offered by: Combi-blocks.

brandCombi-blocks
catalog numberJL-8111-5g
cas731826-75-8
size5g
Documents: Safety Data Sheet (MSDS)
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properties

purity95%
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

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 formulaC13H14N2O3S2
Molecular weight310.4 g/mol
IUPAC name2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
InChIKeyLEPVNFQTWXVSFW-UHFFFAOYSA-N
SMILESC1CCC2=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

Also listed as

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% AmBeed CAS 731826-75-8