- InChI
- InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
- InChI Key
- JLRGJRBPOGGCBT-UHFFFAOYSA-N
- Formula
- C12H18N2O3S
- SMILES
-
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc
1 - Molecular Weight1
- 270.35
- CAS
- 64-77-7
- Other Names
-
- 1-Butyl-3-(p-methylphenylsulfonyl)urea
- 1-Butyl-3-(p-tolylsulfonyl)urea
- 1-Butyl-3-(para-tolylsulfonyl)-urea
- 1-Butyl-3-tosylurea
- 1-p-Toluenesulfonyl-3-butylurea
- 3-(P-tolyl-4-sulfonyl)-1-butyl urea (tolbutamide)
- 3-(p-Tolyl-4-sulfonyl)-1-butylurea
- Aglicid
- Arkozal
- Artosin
- Artozin
- Benzenesulfonamide, N-[(butylamino)carbonyl]-4-methyl-
- Butamid
- Butamide
- D 860
- Diaben
- Diabetamid
- Diabetol
- Diabuton
- Diasulfon
- Dirastan
- Dolipol
- Drabet
- Glyconon
- HLS 831
- Ipoglicone
- Mobenol
- N-(4-Methylbenzenesulfonyl)-N'-butylurea
- N-(4-Methylphenylsulfonyl)-N'-butylurea
- N-(Sulfonyl-p-methylbenzene)-N'-N-butylurea
- N-(n-Butyl)-N'-p-toluene-sulfonylurea
- N-(p-Methylbenzenesulfonyl)-N'-butylurea
- N-(p-Tolylsulfonyl)-N'-butylcarbamide
- N-4-Methylbenzolsulfonyl-N-butylurea
- N-Butyl-N'-(4-methylphenylsulfonyl)urea
- N-Butyl-N'-(p-tolylsulfonyl)urea
- N-Butyl-N'-p-toluenesulfonylurea
- N-Butyl-N'-toluene-p-sulfonylurea
- N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide
- N-n-Butyl-N'-tosylurea
- NCI-C01763
- Orabet
- Oralin
- Orezan
- Orinase
- Orinaz
- Oterben
- Pramidex
- Rastinon
- SK-tolbutamide
- Tolbusal
- Tolbutamid
- Toluina
- Tolumid
- Tolumide
- Toluvan
- Tolylsulfonylbutylurea
- U-2043
- Urea, 1-butyl-3-(p-tolylsulfonyl)-
- Willbutamide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8042 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.46; -3.39] |
|
|
| log10WS | -3.39 | Aq. Solubility Prediction | |
| log10WS | -3.46 | Aq. Solubility Prediction | |
| logPoct/wat | 1.783 | Crippen Calculated Property | |
| McVol | 205.800 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Tboil | 624.59 | K | Relay (1.0) Calculated Property |
| Tc | 892.92 | K | Relay (1.0) Calculated Property |
| Tfus | [400.00; 401.77] | K |
|
| Tfus | 401.77 | K | Aq. Solubility Prediction |
| Tfus | 401.77 | K | Aq. Solubility Prediction |
| Tfus | 400.00 ± 1.00 | K | NIST |
| Vc | 0.723 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.03; 628.49] | J/mol×K | [707.61; 910.31] |
|
| Cp,gas | 559.03 | J/mol×K | 707.61 | Joback Calculated Property |
| Cp,gas | 572.98 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 585.95 | J/mol×K | 775.18 | Joback Calculated Property |
| Cp,gas | 597.97 | J/mol×K | 808.96 | Joback Calculated Property |
| Cp,gas | 609.05 | J/mol×K | 842.75 | Joback Calculated Property |
| Cp,gas | 619.22 | J/mol×K | 876.53 | Joback Calculated Property |
| Cp,gas | 628.49 | J/mol×K | 910.31 | Joback Calculated Property |
| ΔfusH | [25.60; 27.20] | kJ/mol | [400.20; 404.80] |
|
| ΔfusH | 27.20 | kJ/mol | 400.20 | NIST |
| ΔfusH | 25.60 | kJ/mol | 404.80 | NIST |
| ΔfusH | 25.61 | kJ/mol | 404.80 | NIST |
Similar Compounds
Find more compounds similar to Tolbutamide.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solubility of Tolbutamide and Chlorpropamide in Supercritical Carbon Dioxide
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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