Input interpretation
![toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid](../image_source/5f7a06ffb70697fc085b7d32fe57c8b7.png)
toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid
Chemical names and formulas
![| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid formula | C_6H_5CH_3 | C_32H_26N_2O_10S_2 Hill formula | C_7H_8 | C_32H_26N_2O_10S_2 name | toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid IUPAC name | methylbenzene | (2S)-2-[methyl-[2-(naphthalen-2-ylsulfonylamino)-5-naphthalen-2-ylsulfonyloxybenzoyl]amino]butanedioic acid alternate names | meth acid e | methane, phenyl- | methylbenzene | methylbenzol | phenylmethane | toluol | (none) mass fractions | C (carbon) 91.2% | H (hydrogen) 8.75% | C (carbon) 58% | H (hydrogen) 3.95% | N (nitrogen) 4.23% | O (oxygen) 24.1% | S (sulfur) 9.68%](../image_source/3754e090d19f230d23a709d1d5645d11.png)
| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid formula | C_6H_5CH_3 | C_32H_26N_2O_10S_2 Hill formula | C_7H_8 | C_32H_26N_2O_10S_2 name | toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid IUPAC name | methylbenzene | (2S)-2-[methyl-[2-(naphthalen-2-ylsulfonylamino)-5-naphthalen-2-ylsulfonyloxybenzoyl]amino]butanedioic acid alternate names | meth acid e | methane, phenyl- | methylbenzene | methylbenzol | phenylmethane | toluol | (none) mass fractions | C (carbon) 91.2% | H (hydrogen) 8.75% | C (carbon) 58% | H (hydrogen) 3.95% | N (nitrogen) 4.23% | O (oxygen) 24.1% | S (sulfur) 9.68%
Structure diagrams
![| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid vertex count | 7 | 46 edge count | 7 | 53 Schultz index | 193 | 33944 Wiener index | 42 | 7919 Hosoya index | 26 | 2.521×10^9 Balaban index | 2.123 | 1.293](../image_source/a2e5cef87d5358ce0bb7b3ffafd1ca52.png)
| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid vertex count | 7 | 46 edge count | 7 | 53 Schultz index | 193 | 33944 Wiener index | 42 | 7919 Hosoya index | 26 | 2.521×10^9 Balaban index | 2.123 | 1.293
3D structure
![3D structure](../image_source/c16477b3a467a07706d72a413c663702.png)
3D structure
Basic properties
![| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid molar mass | 92.14 g/mol | 662.7 g/mol phase | liquid (at STP) | solid (at STP) melting point | -93 °C | boiling point | 110.5 °C | density | 0.865 g/cm^3 |](../image_source/5640a76a8cd3cc1692349c71dc7fd0a2.png)
| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid molar mass | 92.14 g/mol | 662.7 g/mol phase | liquid (at STP) | solid (at STP) melting point | -93 °C | boiling point | 110.5 °C | density | 0.865 g/cm^3 |
Units
Hydrophobicity and permeability properties
![| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid predicted LogP hydrophobicity | 2.56 | 3.6 experimental LogS | -2.21 | predicted LogS | -2.26 | -6.17](../image_source/f9aa61e0e4cd580d918e55464abe95f6.png)
| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid predicted LogP hydrophobicity | 2.56 | 3.6 experimental LogS | -2.21 | predicted LogS | -2.26 | -6.17
Liquid properties
![| toluene density | 0.865 g/cm^3 vapor pressure | 22 mmHg dynamic viscosity | 5.6×10^-4 Pa s surface tension | 0.02971 N/m refractive index | 1.496 UV cutoff wavelength | 286 nm](../image_source/89cd0133f86a01c89bbd71870038fd58.png)
| toluene density | 0.865 g/cm^3 vapor pressure | 22 mmHg dynamic viscosity | 5.6×10^-4 Pa s surface tension | 0.02971 N/m refractive index | 1.496 UV cutoff wavelength | 286 nm
Units
Thermodynamic properties
![| toluene specific heat of vaporization | 0.4125 kJ/g (kilojoules per gram) critical temperature | 588 K (kelvins) critical pressure | 4.09 MPa (megapascals) compressibility factor | 0.264 (at critical conditions)](../image_source/69d7052193ef666466a9dd810e552a7f.png)
| toluene specific heat of vaporization | 0.4125 kJ/g (kilojoules per gram) critical temperature | 588 K (kelvins) critical pressure | 4.09 MPa (megapascals) compressibility factor | 0.264 (at critical conditions)
Chemical identifiers
![| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid CAS number | 108-88-3 | Beilstein number | 635760 | PubChem CID number | 1140 | 656973 PubChem SID number | 24850838 | 7890686 SMILES identifier | CC1=CC=CC=C1 | CN(C(CC(=O)O)C(=O)O)C(=O)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4](../image_source/9039ab147edf45e3244a76943d9ca220.png)
| toluene | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid CAS number | 108-88-3 | Beilstein number | 635760 | PubChem CID number | 1140 | 656973 PubChem SID number | 24850838 | 7890686 SMILES identifier | CC1=CC=CC=C1 | CN(C(CC(=O)O)C(=O)O)C(=O)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4