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Home> Hot Product Listed Z   > ZINC39479280
7253-03-4 structure

ZINC39479280

Iupac Name:triaminomethyl thiocyanate
CAS No.:7253-03-4
Molecular Weight:118.158
Molecular Formula:C18H15N5O2S (isomer)
Names and Identifiers
Synonyms

3-(3,4-dimethylbenzenesulfonamido)-n-ethyl-n-({[(4-fluorophenyl)methyl]carbamoyl}methyl)propanamide MCULE-3653962049 MOLPORT-009-505-211 Z30379073

Inchi
InChI=1S/C2H6N4S/c3-1-7-2(4,5)6/h4-6H2
InChkey
WTHMPFIIEXIALV-UHFFFAOYSA-N
Canonical Smiles
C(#N)SC(N)(N)N
Properties
Refractive Index
1.667
Computational chemical data
  • Molecular Weight:118.158g/mol
  • Molecular Formula:C18H15N5O2S
  • Compound Is Canonicalized:True
  • Exact Mass:118.031
  • Monoisotopic Mass:118.031
  • Complexity:94
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:7
  • 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
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