548458-12-4
2,3-DIHYDRO-7-MERCAPTO-2-OXOBENZIMIDAZOLE-5-CARBOXYLIC ACID
Name2,3-DIHYDRO-7-MERCAPTO-2-OXOBENZIMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
2,3-DIHYDRO-7-MERCAPTO-2-OXOBENZIMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08275462
【English Synonyms】
【Formula】
C8 H6 N2 O3 S
【MolWeight】
210.212
【Inchi】
InChI=1S/C8H6N2O3S/c11-7(12)3-1-4-6(5(14)2-3)10-8(13)9-4/h1-2,14H,(H,11,12)(H2,9,10,13)
【InChIKey】
InChIKey=NJJFZIAWRKRBTN-UHFFFAOYSA-N
【SMILES】
c1c(cc(c2c1[nH]c(=O)[nH]2)S)C(=O)O
【MOL File】
2,3-DIHYDRO-7-MERCAP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIHYDRO-7-MERCAPTO-2-OXOBENZIMIDAZOLE-5-CARBOXYLIC ACID.cml