744203-98-3
2-[(5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-YL)THIO]BENZOIC ACID
Name2-[(5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-YL)THIO]BENZOIC ACID
1Identification
【Name】
2-[(5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-YL)THIO]BENZOIC ACID
【CAS】
【MDL】
MFCD05265122
【English Synonyms】
【Formula】
C19 H12 N2 O2 S2
【MolWeight】
364.448
【Inchi】
InChI=1S/C19H12N2O2S2/c22-19(23)13-8-4-5-9-15(13)25-18-16-14(12-6-2-1-3-7-12)10-24-17(16)20-11-21-18/h1-11H,(H,22,23)
【InChIKey】
InChIKey=QNAVYABNYJQGGZ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2csc3c2c(ncn3)Sc4ccccc4C(=O)O
【MOL File】
2-[(5-PHENYLTHIENO[2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-YL)THIO]BENZOIC ACID.cml