6623-83-2
6-CHLORO-5-METHYL-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLIC ACID
Name6-CHLORO-5-METHYL-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
6-CHLORO-5-METHYL-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16657379
【English Synonyms】
【Formula】
C7 H7 Cl N2 O2 S
【MolWeight】
218.663
【Inchi】
InChI=1S/C7H7ClN2O2S/c1-3-4(6(11)12)9-7(13-2)10-5(3)8/h1-2H3,(H,11,12)
【InChIKey】
InChIKey=DCPVIQOHNZCUJY-UHFFFAOYSA-N
【SMILES】
Cc1c(nc(nc1Cl)SC)C(=O)O
【MOL File】
6-CHLORO-5-METHYL-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-5-METHYL-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLIC ACID.cml