chempirical

Acibenzolar-S-methyl

C8H6N2OS2CAS 135158-54-2210.27 g/mol

Open in Covalent MOL file
SONNS
Sulfide

Properties

Molecular formula
C8H6N2OS2
Molar mass
210.27 g/mol
Exact mass
209.9922 Da
Melting point
132.9 °C
Boiling point
267 °C
logP
2.19Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
135158-54-2
SMILES
CSC(=O)c1cccc2nnsc12
InChIKey
UELITFHSCLAHKR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester
  • CGA 245704
  • Actigard
  • Benzothiadiazole
  • BTH
  • Bendicar
  • Bion
  • Bion (pesticide)
  • BTH (agrochemical)
  • Bion 50WG
  • Bion 49
  • Actigard AM 87
  • Bion 500WG

Work with Acibenzolar-S-methyl

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-thiofuroate13679-61-338 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia