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Guanidine, Sulfate (1:?)
CAS: 1184-68-5 | CH7N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1184-68-5
Molecular Formula:
CH7N3O4S
Molecular Mass:
157.15 g/mol
Names and Synonyms:
Guanidine, Sulfate (1:?)
Guanidine, sulfate (1:?)
Guanidine, sulfate
Carbamidinium sulfate
Identifiers:
SMILES:
N=C(N)N.O=S(=O)(O)O
InChI:
InChI=1S/CH5N3.H2O4S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H2,1,2,3,4)
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 | 157.15 g/mol | CAS Common Chemistry |
| 157.151 g/mol | RDKit | |
| 157.015726704 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)O.N=C(N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH5N3.H2O4S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ZZTURJAZCMUWEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Guanidine, sulfate (1:?) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 150.48999999999998 Ų | RDKit |
| LogP | -1.8142299999999998 | RDKit |
| Molar Refractivity | 30.278900000000004 | RDKit |
