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Home> Encyclopedia > Hot Product Listed 2   > 2-Benzothiazolamine,6-(1,1-dimethylethyl)-
1224165-89-2 structure

2-Benzothiazolamine,6-(1,1-dimethylethyl)-

Iupac Name:N-[3-[(2-methoxyacetyl)amino]propyl]-1,3-benzothiazole-2-carboxamide
CAS No.:1224165-89-2
EINECS(EC#): 231-769-2
Molecular Weight:307.368
Molecular Formula:C11H13NO2 (isomer)
Names and Identifiers
Synonyms

2-Amino-6-tert-butylbenzothiazole

Inchi
InChI=1S/C14H17N3O3S/c1-20-9-12(18)15-7-4-8-16-13(19)14-17-10-5-2-3-6-11(10)21-14/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,19)
InChkey
JODKATBIXSLLNT-UHFFFAOYSA-N
Canonical Smiles
COCC(=O)NCCCNC(=O)C1=NC2=CC=CC=C2S1
Properties
Boiling Point
362 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:307.368g/mol
  • Molecular Formula:C11H13NO2
  • Compound Is Canonicalized:True
  • Exact Mass:307.099
  • Monoisotopic Mass:307.099
  • Complexity:367
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:109A^2
  • Heavy Atom Count:21
  • 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: AAADceBzMABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgQQAAAACAjh1gYywbLIFAis ASVyVAKD8KBjCjhImLz4ZJgKYKLg0bWVIAhglgD4yAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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