94934-07-3
1,3,4,5-TETRAHYDROTHIOPYRANO[4,3-B]INDOLE-8-CARBOXYLIC ACID
Name
1,3,4,5-TETRAHYDROTHIOPYRANO[4,3-B]INDOLE-8-CARBOXYLIC ACID
Formula
C12 H11 N O2 S
MolWeight
233.29
1Identification
【Name】
1,3,4,5-TETRAHYDROTHIOPYRANO[4,3-B]INDOLE-8-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00454218
【English Synonyms】
【Formula】
C12 H11 N O2 S
【MolWeight】
233.29
【Inchi】
InChI=1S/C12H11NO2S/c14-12(15)7-1-2-10-8(5-7)9-6-16-4-3-11(9)13-10/h1-2,5,13H,3-4,6H2,(H,14,15)
【InChIKey】
InChIKey=KWLCAPKPQWXVPQ-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C(=O)O)c3c([nH]2)CCSC3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
1,3,4,5-TETRAHYDROTHIOPYRANO[4,3-B]INDOLE-8-CARBOXYLIC ACID.cml
Quick Release
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