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Molecule
P-(Methylsulfonyl)Phenylhydrazine
CAS: 877-66-7 · C7H10N2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 877-66-7
- Molecular Formula
- C7H10N2O2S
- Molecular Mass
- 186.24 g/mol
Identifiers
CAS Registry Number
877-66-7
SMILES
CS(=O)(=O)c1ccc(NN)cc1
InChI Key
ZHYAENSFCNMJQQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3
Names and Synonyms
- P-(Methylsulfonyl)Phenylhydrazine Common Name
- Hydrazine, [4-(methylsulfonyl)phenyl]- Synonym
- Hydrazine, [p-(methylsulfonyl)phenyl]- Synonym
- [4-(Methylsulfonyl)phenyl]hydrazine Synonym
- 4-Methylsulfonylphenylhydrazine Synonym
- p-(Methylsulfonyl)phenylhydrazine Synonym
- (4-Methanesulfonylphenyl)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.24 g/mol | CAS Common Chemistry |
| 186.23600000000002 g/mol | RDKit | |
| 186.236 g/mol | RDKit | |
| 186.229 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(C1=CC=C(C=C1)NN)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZHYAENSFCNMJQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C | CAS Common Chemistry |
| Name | p-(Methylsulfonyl)phenylhydrazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.19 Ų | RDKit |
| LogP | 0.3757000000000001 | RDKit |
| 0.3757 | RDKit | |
| Molar Refractivity | 47.36190000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 186.04629856 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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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 = 186.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O2S.
