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Molecule
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
Identifiers
CAS Registry Number
80-17-1
SMILES
NNS(=O)(=O)c1ccccc1
InChI Key
VJRITMATACIYAF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
Names and Synonyms
- Benzenesulfonyl Hydrazide Common Name
- Benzenesulfonic acid, hydrazide Synonym
- Benzenesulfonyl hydrazide Synonym
- Phenylsulfohydrazide Synonym
- Porofor BSH Synonym
- Benzenesulfonic hydrazide Synonym
- Genitron BSH Synonym
- Benzenesulfohydrazide Synonym
- Phenylsulfonyl hydrazide Synonym
- Phenylsulfonylhydrazine Synonym
- ChKhZ 9 Synonym
- Porofor ChKhZ 9 Synonym
- Benzenesulfonylhydrazine Synonym
- Benzenesulfonohydrazide Synonym
- Porofor-BSH-Pulver Synonym
- Celogen BSH Synonym
- Nitropore OBSH Synonym
- Hydrazide BSG Synonym
- N-Benzenesulfonylhydrazide Synonym
- BSH Synonym
- BSH (blowing agent) Synonym
- NSC 643 Synonym
- Unicell BSHTM Synonym
- B 3809-25G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.21 g/mol | CAS Common Chemistry |
| 172.209 g/mol | RDKit | |
| 172.202 g/mol | chempirical lib | |
| 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 |
| -0.1614 | RDKit | |
| Molar Refractivity | 40.95090000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 172.030648496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 172.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2O2S.
