724749-05-7
5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name
5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C11 H14 N4 S
MolWeight
234.326
1Identification
【Name】
5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04059448
【English Synonyms】
【Formula】
C11 H14 N4 S
【MolWeight】
234.326
【Inchi】
InChI=1S/C11H14N4S/c1-14(2)9-6-4-8(5-7-9)10-12-13-11(16)15(10)3/h4-7H,1-3H3,(H,13,16)
【InChIKey】
InChIKey=ROIBCPQYBHZTGE-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S)c2ccc(cc2)N(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml
Quick Release
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