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2-Methyl-1,4-Naphthoquinone Sodium Bisulfite
CAS: 130-37-0 | C11H10NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
130-37-0
Molecular Formula:
C11H10NaO5S
Molecular Mass:
277.25 g/mol
Names and Synonyms:
2-Methyl-1,4-Naphthoquinone Sodium Bisulfite
2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, sodium salt (1:1)
2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, sodium salt
Hemoklot
Hetrogen K
Ido-K
Hykinone
Kavitan
Klotogen F
Klotogen
Menadione bisulfite
Menadione sodium bisulfite
Menadione sodium hydrogen sulfite
2-Methyl-1,4-naphthoquinone sodium bisulfite
MSBC
Sodium menadione bisulfite
1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid sodium salt
Vikasol
Vitamin K3 sodium bisulfite
Vitamin K injection
1,4-Naphthalenedione, 2-methyl-, sodium bisulfite deriv.
2-Methylnaphthoquinone sodium hydrogen sulfite
Golagen K
Klotogen F 227
Klotogen F 16
Hetrogen K Premix
Kavitamin
Kalzon
K-Trombina
Menaphthone sodium bisulphite
Menaphthone sodium bisulfite
2,3-Dihydro-2-methyl-1,4-naphthoquinone-2-sulfonate sodium
Kawitan
2-Methyl-1,4-naphthoquinone sodium hydrogen sulfite
Identifiers:
SMILES:
CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.[Na]
InChI:
InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);
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 | 277.25 g/mol | CAS Common Chemistry |
| 277.253 g/mol | RDKit | |
| 277.0146637 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1C=2C=CC=CC2C(=O)C(C)(C1)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16); | CAS Common Chemistry |
| InChI Key | InChIKey=CPXLSZUJVOZQLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-1,4-naphthoquinone sodium bisulfite | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 88.50999999999999 Ų | RDKit |
| LogP | 0.7214 | RDKit |
| Molar Refractivity | 65.42760000000001 | RDKit |
