56077-77-1
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE
Name
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula
C8 H7 N O2 S
MolWeight
181.214
1Identification
【Name】
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE
【CAS】
【MDL】
MFCD08445160
【English Synonyms】
【Formula】
C8 H7 N O2 S
【MolWeight】
181.214
【Inchi】
InChI=1S/C8H7NO2S/c10-8-4-11-7-2-1-5(12)3-6(7)9-8/h1-3,12H,4H2,(H,9,10)
【InChIKey】
InChIKey=TZLHASRVPHEHSN-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1S)NC(=O)CO2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE.cml
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