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175202-50-3
6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
Name
6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
Formula
C12 H13 N O S2
MolWeight
251.373
1Identification
【Name】
6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
【CAS】
【MDL】
MFCD00084980
【English Synonyms】
【Formula】
C12 H13 N O S2
【MolWeight】
251.373
【Inchi】
InChI=1S/C12H13NOS2/c1-12(2)4-7-9(6-13)16-11(15-3)10(7)8(14)5-12/h4-5H2,1-3H3
【InChIKey】
InChIKey=REHLIMHCZVPSPB-UHFFFAOYSA-N
【SMILES】
CC1(Cc2c(sc(c2C(=O)C1)SC)C#N)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE.cml
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