539811-22-8
5-((3,4-DICHLOROANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Name
5-((3,4-DICHLOROANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Formula
C15 H12 Cl2 N4 S
MolWeight
351.26
1Identification
【Name】
5-((3,4-DICHLOROANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD05154910
【English Synonyms】
【Formula】
C15 H12 Cl2 N4 S
【MolWeight】
351.26
【Inchi】
InChI=1S/C15H12Cl2N4S/c16-12-7-6-10(8-13(12)17)18-9-14-19-20-15(22)21(14)11-4-2-1-3-5-11/h1-8,18H,9H2,(H,20,22)
【InChIKey】
InChIKey=XSPFUUGBCGSSHB-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(n[nH]c2=S)CNc3ccc(c(c3)Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-((3,4-DICHLOROANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE.cml
Quick Release
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Sigma-Aldrich Corporation
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Catalog No:L444928-10MG 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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