743453-36-3
([(4-OXO-5-THIEN-2-YL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
Name([(4-OXO-5-THIEN-2-YL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
1Identification
【Name】
([(4-OXO-5-THIEN-2-YL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD05263808
【English Synonyms】
【Formula】
C13 H10 N2 O3 S3
【MolWeight】
338.431
【Inchi】
InChI=1S/C13H10N2O3S3/c16-10(17)6-19-5-9-14-12(18)11-7(4-21-13(11)15-9)8-2-1-3-20-8/h1-4H,5-6H2,(H,16,17)(H,14,15,18)
【InChIKey】
InChIKey=RYFWXBSJYRZDOB-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)c2csc3c2c(=O)[nH]c(n3)CSCC(=O)O
【MOL File】
([(4-OXO-5-THIEN-2-Y….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([(4-OXO-5-THIEN-2-YL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID.cml