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Home> Encyclopedia > Hot Product Listed J   > JNCVKDWUDAJYNC-UHFFFAOYSA-N
879058-43-2 structure

JNCVKDWUDAJYNC-UHFFFAOYSA-N

Iupac Name:2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CAS No.:879058-43-2
Molecular Weight:261.303
Molecular Formula:C11H11N5OS (isomer)
Names and Identifiers
Synonyms

1471AF 2-methoxy-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline 2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenylamine A4142/0176508 AK190777 AKOS000108569 BAS 15332813 BB_SC-4515 BBL009465 benzenamine, 2-methoxy-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)- c11h11n5os mfcd07792477 MOLPORT-002-028-350 STK231682 ZINC4736807

Inchi
InChI=1S/C11H11N5OS/c1-6-13-14-11-16(6)15-10(18-11)7-3-4-9(17-2)8(12)5-7/h3-5H,12H2,1-2H3
InChkey
JNCVKDWUDAJYNC-UHFFFAOYSA-N
Canonical Smiles
CC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)OC)N
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:261.303g/mol
  • Molecular Formula:C11H11N5OS
  • Compound Is Canonicalized:True
  • Exact Mass:261.068
  • Monoisotopic Mass:261.068
  • Complexity:307
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:107A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzoABAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAWAAAB8AAAHgQYAAAADAyB2wIz1oZIFAim AiZiZACS2ItgIrgdiCA3bJiOLqKkuZuBMCBk2BMI6AeQ0AAOIAAAQAAAEABAAACAAAAgAAAAAAAA AA==
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