chempirical

2,2-Dimethylpropanethioamide

C5H11NSCAS 630-22-8117.21 g/mol

Open in Covalent MOL file
NHSH
Thiol

Properties

Molecular formula
C5H11NS
Molar mass
117.21 g/mol
Exact mass
117.0612 Da
Melting point
117–119 °C
logP
1.94Crippen estimate
Polar surface area
23.9 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
630-22-8
SMILES
CC(C)(C)C(=N)S
InChIKey
FJZJUSOFGBXHCV-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)

Weigh it out

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

Names and synonyms

7 names
  • Propanethioamide, 2,2-dimethyl-
  • Propionamide, 2,2-dimethylthio-
  • Thiopivalamide
  • 2,2-Dimethylthiopropionamide
  • NSC 381432
  • Neopentanethioamide
  • 2,2,2-Trimethylthioacetamide

Work with 2,2-Dimethylpropanethioamide

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

2,2-Dimethylpropanethioic acid55561-02-936 % similar Pivalamide754-10-936 % similar 2,2-Dimethylpropionamidine hydrochloride18202-73-832 % similar N-(1,1-Dimethylethyl)thiourea7204-48-032 % similar

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

Same formula

2,2-Dimethylthiazolidine19351-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook