5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUM IODIDE

CAS No.
38054-60-3
CCD No.
CCD00065082
Formula
C16 H16 N3 S . I
MolWeight
409.289

Basic Information

Product Name: 5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUM IODIDE
CAS: 38054-60-3
English Synonyms: 5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUM IODIDE ; 5-METHYL-3-METHYLTHIO-1,4-DIPHENYL-1,2,4-TRIAZOLIUM IODIDE
MDL Number.: MFCD00134582
H bond acceptor: 3
H bond donor: 0
Smile: Cc1n(nc([n+]1c2ccccc2)SC)c3ccccc3.[I-]
InChi: InChI=1S/C16H16N3S.HI/c1-13-18(14-9-5-3-6-10-14)16(20-2)17-19(13)15-11-7-4-8-12-15;/h3-12H,1-2H3;1H/q+1;/p-1
InChiKey: InChIKey=DYIKGUMVIOCUSG-UHFFFAOYSA-M

Property

Melting Point: 254-255 DEG C(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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