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Home> Hot Product Listed A   > AKOS004980865
938185-59-2 structure

AKOS004980865

Iupac Name:3-(1H-indol-4-yl)-N,N-dimethylpropanethioamide
CAS No.:938185-59-2
Molecular Weight:232.345
Molecular Formula:C21H26N2O3 (isomer)
Names and Identifiers
Synonyms

BG01478875 BS-9693 F3398-1393 HTS006711 KS-00003K2M MCULE-6939266437 MOLPORT-010-652-728 n-(3-bromophenyl)-2-((3-methyl-4-oxo-7-(p-tolyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide n-(3-bromophenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide n-(3-bromophenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxo-3h,4h-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide n-(3-bromophenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide ZINC33262628

Inchi
InChI=1S/C13H16N2S/c1-15(2)13(16)7-6-10-4-3-5-12-11(10)8-9-14-12/h3-5,8-9,14H,6-7H2,1-2H3
InChkey
CHPRUXCWIWXJEW-UHFFFAOYSA-N
Canonical Smiles
CN(C)C(=S)CCC1=C2C=CNC2=CC=C1
Computational chemical data
  • Molecular Weight:232.345g/mol
  • Molecular Formula:C21H26N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:232.103
  • Monoisotopic Mass:232.103
  • Complexity:252
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:51.1A^2
  • Heavy Atom Count:16
  • 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: AAADceBzAABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAQQAAAADAjBXgQ+wPPJkACk AzRnRACCgCAxAigI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgIAOgAAAQAASAAAAAACAACQAAAAAAAAA AA==
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