566947-04-4
2-METHYL-5-NITROTHIOPHENE-3-CARBOXYLIC ACID
Name2-METHYL-5-NITROTHIOPHENE-3-CARBOXYLIC ACID
1Identification
【Name】
2-METHYL-5-NITROTHIOPHENE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11870457
【English Synonyms】
【Formula】
C6 H5 N O4 S
【MolWeight】
187.174
【Inchi】
InChI=1S/C6H5NO4S/c1-3-4(6(8)9)2-5(12-3)7(10)11/h2H,1H3,(H,8,9)
【InChIKey】
InChIKey=VAUOSOVGVCCSSF-UHFFFAOYSA-N
【SMILES】
Cc1c(cc(s1)[N+](=O)[O-])C(=O)O
【MOL File】
2-METHYL-5-NITROTHIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-5-NITROTHIOPHENE-3-CARBOXYLIC ACID.cml