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Tolbutamide
CAS: 64-77-7 | C12H18N2O3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
64-77-7
Molecular Formula:
C12H18N2O3S
Molecular Mass:
270.35 g/mol
Names and Synonyms:
Tolbutamide
Benzenesulfonamide, N-[(butylamino)carbonyl]-4-methyl-
Urea, 1-butyl-3-(p-tolylsulfonyl)-
N-[(Butylamino)carbonyl]-4-methylbenzenesulfonamide
D 860
Artosin
Butamide
1-Butyl-3-(p-methylphenylsulfonyl)urea
N-Butyl-N′-p-toluenesulfonylurea
1-Butyl-3-(p-tolylsulfonyl)urea
N-n-Butyl-N′-tosylurea
Diaben
Diabuton
Dolipol
Ipoglicone
Mobenol
Orabet
Oralin
Orinase
Rastinon
N-(Sulfonyl-p-methylbenzene)-N′-n-butylurea
Tolbutamide
Toluina
N-(p-Tolylsulfonyl)-N′-butylcarbamide
3-(p-Tolyl-4-sulfonyl)-1-butylurea
Diabetol
Butamid
N-(4-Methylphenylsulfonyl)-N′-butylurea
N-(4-Methylbenzenesulfonyl)-N′-butylurea
Tolbutamid
N-Butyl-N′-(p-tolylsulfonyl)urea
N-Butyl-N′-(4-methylphenylsulfonyl)urea
Aglicid
Arkozal
Artozin
Diabetamid
Orezan
Orinaz
Tolumid
Toluvan
Oterben
Tolbusal
Willbutamide
HLS 831
N-(p-Methylbenzenesulfonyl)-N′-butylurea
Tolumide
Pramidex
Diasulfon
Glyconon
U 2043
NSC 23813
NSC 87833
1-Butyl-3-(4-methylphenyl)sulfonylurea
3-Butyl-1-(4-methylbenzenesulfonyl)urea
Identifiers:
SMILES:
CCCCN=C(O)NS(=O)(=O)c1ccc(C)cc1
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)
Key Properties
Melting Point
128.5-129.5 °C
CAS Common Chemistry
Density
1.25 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.35 g/mol | CAS Common Chemistry |
| 270.354 g/mol | RDKit | |
| 270.103813436 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.245 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NCCCC)NS(=O)(=O)C1=CC=C(C=C1)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=JLRGJRBPOGGCBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128.5-129.5 °C | CAS Common Chemistry |
| Name | Tolbutamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.76 Ų | RDKit |
| LogP | 1.9874200000000002 | RDKit |
| Molar Refractivity | 71.33930000000004 | RDKit |
