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Mesna
CAS: 19767-45-4 | C2H6NaO3S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19767-45-4
Molecular Formula:
C2H6NaO3S2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
Mesna
Ethanesulfonic acid, 2-mercapto-, sodium salt (1:1)
Ethanesulfonic acid, 2-mercapto-, monosodium salt
Sodium 2-mercaptoethanesulfonate
Mesna
Mitexan
Mesnum
Mistabron
Mucofluid
Uromitexan
2-Mercaptoethanesulfonic acid sodium salt
Prehepon
Mesnex
D 7093
2-Mercapto-1-ethanesulfonic acid monosodium salt
2-Mercaptoethanesulfonic acid monosodium salt
UCB 3983
Mistabronco
Sodium 2-sulfanylethanesulfonate
Identifiers:
SMILES:
O=S(=O)(O)CCS.[Na]
InChI:
InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);
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 | 165.19 g/mol | CAS Common Chemistry |
| 165.191 g/mol | RDKit | |
| 164.965605332 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)CCS | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=PYTISYCTLQTCTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Mesna | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | -0.5768 | RDKit |
| Molar Refractivity | 36.022600000000004 | RDKit |
