590376-39-9
4-ALLYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name
4-ALLYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C13 H15 N3 S
MolWeight
245.348
1Identification
【Name】
4-ALLYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03946375
【English Synonyms】
【Formula】
C13 H15 N3 S
【MolWeight】
245.348
【Inchi】
InChI=1S/C13H15N3S/c1-2-10-16-12(14-15-13(16)17)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,17)
【InChIKey】
InChIKey=SUVDKGDAFNEOAN-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1S)CCc2ccccc2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ALLYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml
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