3-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-propionic acid

Catalog Number

ACM109164478

Product Name

3-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-propionic acid

Structure

CAS

109164-47-8

Category

Heterocyclic Organic Compound

Synonyms

109164-47-8, F0307-0537, [1]Benzothieno[2,3-d]pyrimidine-2-propanoicacid, 1,4,5,6,7,8-hexahydro-4-oxo-, 3-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-propionic acid, 3-(4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoic acid, IFLab1_001277, ACMC-20mc2u, AC1LF1ZV, AC1Q75AG, AC1Q75AH, Oprea1_089649, CBDivE_002586, SureCN12280662, CTK0H2752, MolPort-001-833-724, HMS1415K01, AKOS002085626, AKOS002665078, AG-D-25932, CCG-199306

IUPAC Name

3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid

Molecular Weight

278.327

Molecular Formula

C₁₃H₁₄N₂O₃S

Canonical SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)O

InChI Key

ZUYIZUTYDFCUMM-UHFFFAOYSA-N

Boiling Point

470.6ºC at 760 mmHg

Flash Point

238.4ºC

Density

1.61g/cm³

Exact Mass

278.07300

H-Bond Acceptor

5

H-Bond Donor

2

MSDS

COA

Spec Sheet