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Benzenesulfonyl Hydrazide
CAS: 80-17-1 | C6H8N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-17-1
Molecular Formula:
C6H8N2O2S
Molecular Mass:
172.21 g/mol
Names and Synonyms:
Benzenesulfonyl Hydrazide
Benzenesulfonic acid, hydrazide
Benzenesulfonyl hydrazide
Phenylsulfohydrazide
Porofor BSH
Benzenesulfonic hydrazide
Genitron BSH
Benzenesulfohydrazide
Phenylsulfonyl hydrazide
Phenylsulfonylhydrazine
ChKhZ 9
Porofor ChKhZ 9
Benzenesulfonylhydrazine
Benzenesulfonohydrazide
Porofor-BSH-Pulver
Celogen BSH
Nitropore OBSH
Hydrazide BSG
N-Benzenesulfonylhydrazide
BSH
BSH (blowing agent)
NSC 643
Unicell BSHTM
B 3809-25G
Identifiers:
SMILES:
NNS(=O)(=O)c1ccccc1
InChI:
InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
Key Properties
Melting Point
102 °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 | 172.21 g/mol | CAS Common Chemistry |
| 172.209 g/mol | RDKit | |
| 172.030648496 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NN)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VJRITMATACIYAF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 102 °C | CAS Common Chemistry |
| Name | Benzenesulfonyl hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.19 Ų | RDKit |
| LogP | -0.1614000000000002 | RDKit |
| Molar Refractivity | 40.95090000000001 | RDKit |
