66533-95-7
6-[(PHENYLMETHYL)THIO]-PYRAZINECARBOXYLIC ACID
Name6-[(PHENYLMETHYL)THIO]-PYRAZINECARBOXYLIC ACID
1Identification
【Name】
6-[(PHENYLMETHYL)THIO]-PYRAZINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD00233248
【English Synonyms】
【Formula】
C12 H10 N2 O2 S
【MolWeight】
246.289
【Inchi】
InChI=1S/C12H10N2O2S/c15-12(16)10-6-13-7-11(14-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
【InChIKey】
InChIKey=XUJVZURVZREHLV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CSc2cncc(n2)C(=O)O
【MOL File】
6-[(PHENYLMETHYL)THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-[(PHENYLMETHYL)THIO]-PYRAZINECARBOXYLIC ACID.cml