74470-23-8
2-(METHYLTHIO)NICOTINIC ACID
Name
2-(METHYLTHIO)NICOTINIC ACID
Formula
C7 H7 N O2 S
MolWeight
169.203
1Identification
【Name】
2-(METHYLTHIO)NICOTINIC ACID
【CAS】
【MDL】
MFCD00010101
【English Synonyms】
【Formula】
C7 H7 N O2 S
【MolWeight】
169.203
【Inchi】
InChI=1S/C7H7NO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
【InChIKey】
InChIKey=COPSJQVPEUUOKY-UHFFFAOYSA-N
【SMILES】
CSc1c(cccn1)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :2-(METHYLTHIO)NICOTINIC ACID
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
2-(METHYLTHIO)NICOTINIC ACID.cml
Quick Release
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