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Menazon
CAS: 78-57-9 | C6H12N5O2PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-57-9
Molecular Formula:
C6H12N5O2PS2
Molecular Mass:
281.30 g/mol
Names and Synonyms:
Menazon
Phosphorodithioic acid, S-[(4,6-diamino-1,3,5-triazin-2-yl)methyl] O,O-dimethyl ester
Phosphorodithioic acid, S-[(4,6-diamino-s-triazin-2-yl)methyl] O,O-dimethyl ester
PP.175
R 15,175
Azidithion
2,4-Diamino-6-dimethoxyphosphinothionylthiomethyl-s-triazine
S-[(4,6-Diamino-s-triazine-2-yl)methyl] O,O-dimethyl phosphorodithioate
S-(4,6-Diamino-1,3,5-triazin-2-ylmethyl) O,O-dimethyl phosphorodithioate
S-(4,6-Diamino-1,3,5-triazin-2-ylmethyl) dimethyl phosphorothiolothionate
O,O-Dimethyl S-(4,6-diamino-s-triazin-2-ylmethyl)phosphorodithioate
O,O-Dimethyl S-(4,6-diamino-1,3,5-triazin-2-yl)methyl phosphorothiolothionate
Menazon
Sayfos
Sayphos
S-[(4,6-Diamino-s-triazin-2-yl)methyl]-O,O-dimethyl phosphorodithioate
Identifiers:
SMILES:
COP(=S)(OC)SCc1nc(=N)[nH]c(=N)[nH]1
InChI:
InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)
Key Properties
Melting Point
164-166 °C
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 | 281.30 g/mol | CAS Common Chemistry |
| 281.30299999999994 g/mol | RDKit | |
| 281.01700325400003 g/mol | RDKit | |
| Canonical SMILES | S=P(OC)(OC)SCC=1N=C(N=C(N1)N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=SUYHYHLFUHHVJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-166 °C | CAS Common Chemistry |
| Name | Menazon | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 110.63 Ų | RDKit |
| LogP | 0.4472400000000001 | RDKit |
| Molar Refractivity | 64.2458 | RDKit |
