chempirical

2-Amino-6-benzothiazolyl thiocyanate

C8H5N3S2CAS 7170-77-6207.27 g/mol

Open in Covalent MOL file
NSNHNHS
NitrileSulfide

Properties

Molecular formula
C8H5N3S2
Molar mass
207.27 g/mol
Exact mass
206.9925 Da
Melting point
198 °C
logP
2.28Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
7170-77-6
SMILES
N#CSc1ccc2[nH]c(=N)sc2c1
InChIKey
FVNSRFMQXKMHTQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)

Weigh it out

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

Names and synonyms

5 names
  • Thiocyanic acid, 2-amino-6-benzothiazolyl ester
  • 2-Amino-6-thiocyanatobenzothiazole
  • NSC 327380
  • 2-Amino-6-thiocyanato-1,3-benzothiazole
  • [(2-Amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile

Work with 2-Amino-6-benzothiazolyl 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

2-Amino-6-methoxybenzothiazole1747-60-049 % similar 2-Amino-6-bromobenzothiazole15864-32-149 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-6-fluorobenzothiazole348-40-349 % similar 2-Amino-6-chlorobenzothiazole95-24-949 % similar 2-Aminobenzothiazole136-95-847 % similar Riluzole1744-22-542 % similar 6-(Methylsulfonyl)-2-benzothiazolamine17557-67-442 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook