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Home> Encyclopedia > Hot Product Listed 6   > 6-Benzothiazolamine,4,7-dimethyl-
39872-57-6 structure

6-Benzothiazolamine,4,7-dimethyl-

CAS No.:39872-57-6
Molecular Weight:192.2973
Molecular Formula:C8H8N2OS (isomer)
Names and Identifiers
Synonyms

4,7-dimethyl-1,3-benzothiazol-6-amine 4,7-dimethyl-6-benzothiazolamine 6-benzothiazolamine, 4,7-dimethyl- (9ci) 6-Benzothiazolamine,4,7-dimethyl-(9CI) AKOS030558162 CTK4E5284 DTXSID10663261 HE131717 KB-289418 SCHEMBL8581391 ZINC45236367

Inchi
InChI=1/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3/b6-5+
Canonical Smiles
CC=CC(=O)C1CCC(C=C1C)(C)C
Isomers Smiles
C/C=C/C(=O)C1CCC(C=C1C)(C)C
Computational chemical data
  • Molecular Weight:192.2973g/mol
  • Molecular Formula:C8H8N2OS
  • Exact Mass:192.151415
  • Monoisotopic Mass:192.151415
  • Complexity:282
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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