| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2005 | 6 | No |
Popular Name: 2-IMINOTHIOLANE 2-IMINOTHIOLANE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4781-83-3 , 6539-14-6 , [1779-81-3] , [4781-83-3]
2-Iminothiolane hydrochloride, 98%
2-Iminothiolane [4781-83-3]; (Traut's Reagent)
2-Thiolanimine hydrochloride, 2IT, Dihydro-2(3H)-thiophenimine hydrochloride, Traut’s reagent
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.92 | 2 | -3.96 | 1 | 1 | 0 | 24 | 101.174 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 198-201 °C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| SOLUBILITY | H2O: 100 mg/mL | Indofine |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| Notes | Primary amine reactive -Introduces sulphhydryls Water solubleRef: Jue,R,et al.(1978)Biochemistry 17, 5399-5405Ref: Ghosh,S.S,et al(1990)Bioconjugate Chem.1, 71-76 | Apollo Scientific Bioactives |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.