chempirical

p-Dimethylaminophenyl thiocyanate

C9H10N2SCAS 7152-80-9178.25 g/mol

Open in Covalent MOL file
NSN
NitrileSulfideTertiary amine

Properties

Molecular formula
C9H10N2S
Molar mass
178.25 g/mol
Exact mass
178.0565 Da
logP
2.33Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
7152-80-9
SMILES
CN(C)C1=CC=C(C=C1)SC#N
InChIKey
WCCIEZDFRJREQJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2S/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • [4-(Dimethylamino)phenyl] thiocyanate
  • 4-(Dimethylamino)phenyl thiocyanate
  • Thiocyanic acid, 4-(dimethylamino)phenyl ester
  • p-(Dimethylamino)phenylthiocyanate
  • p-Thiocyanodimethylaniline
  • 4-Thiocyano-N,N-dimethylaniline
  • p-(Dimethylamino)thiocyanobenzene
  • Thiocyanic acid, p-(dimethylamino)phenyl ester
  • Caswell no. 359E
  • Dimethylaminorhodanbenzol
  • (Dimethylamino)rhodanbenzol
  • ANILINE, N,N-DIMETHYL-p-THIOCYANATO-
  • Dimethylamino-4-thiocyanobenzene
  • 4-Thiocyanato-N,N-dimethylaniline
  • p-N,N-Dimethylaminothiocyanobenzene
  • EPA pesticide chemical code 359600

Work with p-Dimethylaminophenyl thiocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Wurster'S blue100-22-150 % similar 4-(Dimethylamino)benzonitrile1197-19-950 % similar Rhodan2987-46-450 % similar Dimethylaniline121-69-744 % similar N,N,N′,N′-Tetramethylbenzidine366-29-044 % similar Tetramethyl-P-phenylenediamine dihydrochloride637-01-444 % similar 4-Methoxy-N,N-dimethylbenzenamine701-56-442 % similar Dimethyl-P-toluidine99-97-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Isothiocyanato-N,N-dimethylbenzenamine2131-64-8 5,6-Dimethyl-2-benzothiazolamine29927-08-0 2-Amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carbonitrile4651-91-6

Elsewhere

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