Fosthiazate
Properties
- Molecular formula
- C9H18NO3PS2
- Molar mass
- 283.34 g/mol
- Exact mass
- 283.0466 Da
- Melting point
- below 25 °C
- Boiling point
- 198 °C
- logP
- 3.83Crippen estimate
- Polar surface area
- 46.6 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 6
Identifiers
CAS number
98886-44-3SMILES
CCOP(=O)(SC(C)CC)N1CCSC1=OInChIKey
DUFVKSUJRWYZQP-UHFFFAOYSA-NInChI
InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Phosphonothioic acid, P-(2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester
- Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester
- IKI 1145
- S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate
- Nemathorin
- S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothiolate
Work with Fosthiazate
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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds