| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 12 | No |
Popular Name: N-(1,1-dioxidotetrahydrothien-3-yl)-N-isobutylamine hydrochloride N-(1,1-dioxidotetrahydrothien-3-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 247109-25-7 , 464876-48-0 , [247109-25-7]
(1,1-Dioxo-tetrahydro-1lambda(6)-thiophen-3-yl)-isobutyl-amine hydrochloride
(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-isobutyl-amine hydrochloride
(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-isobutyl-aminehydrochloride
3-[(2-methylpropyl)amino]-1$l^{6}-thiolane-1,1-dione
DIOXOTETRAHYDROLAMBDA*THIOPHENYLISOBUTYLAMINEHYDROCHLORID
DIOXOTETRAHYDROLAMBDATHIOPHENYLISOBUTYLAMINEHYDROCHLORID
N-Isobutyltetrahydrothiophene-3-amine-1,1-dioxide hydrochloride
| 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) | 0.74 | 1.49 | -56.04 | 2 | 3 | 1 | 51 | 192.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 0.45 | -9.9 | 1 | 3 | 0 | 46 | 191.296 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 181 - 183 | Enamine Building Blocks |
| MP | 181...183 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
