724749-10-4
4-ALLYL-5-[4-(DIMETHYLAMINO)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name
4-ALLYL-5-[4-(DIMETHYLAMINO)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C13 H16 N4 S
MolWeight
260.363
1Identification
【Name】
4-ALLYL-5-[4-(DIMETHYLAMINO)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04059334
【English Synonyms】
【Formula】
C13 H16 N4 S
【MolWeight】
260.363
【Inchi】
InChI=1S/C13H16N4S/c1-4-9-17-12(14-15-13(17)18)10-5-7-11(8-6-10)16(2)3/h4-8H,1,9H2,2-3H3,(H,15,18)
【InChIKey】
InChIKey=STLICZRBJOVEPW-UHFFFAOYSA-N
【SMILES】
CN(C)c1ccc(cc1)c2nnc(n2CC=C)S
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ALLYL-5-[4-(DIMETHYLAMINO)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml
Quick Release
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