736948-76-8
([(4-OXO-5-PHENYL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
Name([(4-OXO-5-PHENYL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
1Identification
【Name】
([(4-OXO-5-PHENYL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD04638745
【English Synonyms】
【Formula】
C15 H12 N2 O3 S2
【MolWeight】
332.403
【Inchi】
InChI=1S/C15H12N2O3S2/c18-12(19)8-21-7-11-16-14(20)13-10(6-22-15(13)17-11)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,18,19)(H,16,17,20)
【InChIKey】
InChIKey=TZHJEYKMHGLAGJ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)CSCC(=O)O
【MOL File】
([(4-OXO-5-PHENYL-3,….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-PHENYL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID.cml