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129340-04-1
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE
Name
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE
Formula
C17 H16 N2 S
MolWeight
280.393
1Identification
【Name】
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE
【CAS】
【MDL】
MFCD02984094
【English Synonyms】
【Formula】
C17 H16 N2 S
【MolWeight】
280.393
【Inchi】
InChI=1S/C17H16N2S/c1-11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(10-18)17(20)19-16/h6-9H,2-5H2,1H3,(H,19,20)
【InChIKey】
InChIKey=WSBLVDBNRGBMFY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2c3c(c(c(n2)S)C#N)CCCC3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE.cml
Quick Release
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Catalog No:L479365-1EA 10MG
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Business Type:Reagent Company
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Country/Region:United States
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Business Type:Others
http://www.acccorporation.com
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Business Type:Trading Company
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Enamine
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Country/Region:Ukraine
Business Type:Trading Company
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