chempirical

2-Thiophenecarbothioamide

C5H5NS2CAS 20300-02-1143.22 g/mol

Open in Covalent MOL file
H2NSS

Properties

Molecular formula
C5H5NS2
Molar mass
143.22 g/mol
Exact mass
142.9863 Da
Melting point
110–111 °C
logP
1.38Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
20300-02-1
SMILES
NC(=S)c1cccs1
InChIKey
HDXYHAPUCGQOBX-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)

Weigh it out

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

Names and synonyms

7 names
  • 2-Thiophenecarboxamide, thio-
  • 2-Thienylthiocarboxamide
  • 2-Thiophenethiocarboxamide
  • 2-Thiocarbamoylthiophene
  • 2-(Aminothiocarbonyl)thiophene
  • Thiophene-2-carbothioic acid amide
  • Thien-2-carbothioic acid amide

Work with 2-Thiophenecarbothioamide

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-Thiophenecarboxamide5813-89-852 % similar Thiophene-2-carbohydrazide2361-27-542 % similar Thiophene-2-carboxylic acid527-72-042 % similar 2-Thiophenecarbonyl chloride5271-67-042 % similar 2-Benzoylthiophene135-00-239 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-638 % similar 1-(2-Thienyl)-1-propanone13679-75-938 % similar 2-Thiopheneglyoxylic acid4075-59-638 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook