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Obsh
CAS: 80-51-3 | C12H14N4O5S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 80-51-3
- Molecular Formula
- C12H14N4O5S2
- Molecular Mass
- 358.40 g/mol
Identifiers
CAS Registry Number
80-51-3
SMILES
NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
InChI Key
NBOCQTNZUPTTEI-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2
Names and Synonyms
- Obsh Common Name
- Benzenesulfonic acid, 4,4′-oxybis-, 1,1′-dihydrazide Synonym
- Benzenesulfonic acid, 4,4′-oxydi-, dihydrazide Synonym
- Benzenesulfonic acid, 4,4′-oxybis-, dihydrazide Synonym
- Celogen OT Synonym
- p,p′-Oxybis(benzenesulfohydrazide) Synonym
- p,p′-Oxybis(benzenesulfonyl hydrazide) Synonym
- 4,4′-Oxybis(benzenesulfonyl hydrazide) Synonym
- 4,4′-Oxydibenzenesulfonic acid dihydrazide Synonym
- p,p′-Oxybis(benzenesulfonylhydrazine) Synonym
- OBSH Synonym
- Diphenyl ether 4,4′-disulfohydrazide Synonym
- Genitron OB Synonym
- Diphenyl oxide 4,4′-disulfohydrazide Synonym
- 4,4′-Oxydi(benzenesulfonic acid hydrazide) Synonym
- 4,4′-Oxybis(benzenesulfonic acid hydrazide) Synonym
- 4,4′-Oxybis(benzenesulfonic acid) dihydrazide Synonym
- Cellmic S Synonym
- Dihydrazide SDO Synonym
- p,p′-Oxybis(benzenesulfone hydrazide) Synonym
- Neocellborn P 1000M Synonym
- FE 9 Synonym
- Neocellborn FE 9 Synonym
- 4,4′-Bis(hydrazinosulfonyl)diphenyl ether Synonym
- Neocellborn P 1000 Synonym
- Neocellborn N 1000S Synonym
- Neocellborn N 5000 Synonym
- Celogen TO Synonym
- Neocellborn N 50 Synonym
- AZ-B 95 Synonym
- Unifoam AZ 90 Synonym
- Neocellborn 1000SW Synonym
- S 250 Synonym
- S 250 (blowing agent) Synonym
- Neocellborn P 100 Synonym
- Unicell OH Synonym
- N 1000SW Synonym
- Neocellborn N 1000SW Synonym
- NSC 5318 Synonym
- 4,4′-Oxybis(benzenesulfohydrazide) Synonym
- Neothlene HM 806P Synonym
- Lagocell BO 20 Synonym
- Celogen OT 1 Synonym
- Neocellborn 1000S Synonym
- EH 80 Synonym
- EH 80 (blowing agent) Synonym
- Cellmic SX Synonym
- Neocellborn N 7000 Synonym
- Neothlene HM 80NP Synonym
- HM 80NP Synonym
- Akrosperse BBSH75EPR-S Synonym
- N 1000S Synonym
- Rhenoslab OBSH 75 Synonym
- Neocellborn N 5000W Synonym
- Tracel OBSH 160NER Synonym
- Luvopor OB Synonym
- Neocellborn 41000S Synonym
- EE 188E Synonym
- Neocellborn NT-N Synonym
- Neocellborn N 1000M Synonym
- N 1000M Synonym
- Neocellborn 1000M Synonym
- 150D Synonym
- 4,4-Oxy-bis-(benzenesulphonylhydrazide) Synonym
- 4,4′-Oxydibenzenesulfonyl hydrazide Synonym
- Tracel OBSH Synonym
- Cellcom OBSH Synonym
- OT Synonym
- Blowing Agent OB Synonym
- JSJ 118-60S Synonym
- Tracel OBSH 80PR Synonym
- Neocellborn N 1000 Synonym
- Neocellborn SB 51 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.40 g/mol | CAS Common Chemistry |
| 358.40100000000007 g/mol | RDKit | |
| 358.401 g/mol | RDKit | |
| 358.387 g/mol | chempirical lib | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NN)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)NN)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NBOCQTNZUPTTEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-160 °C (decomp) | CAS Common Chemistry |
| Name | OBSH | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 153.61 Ų | RDKit |
| LogP | -0.2170999999999994 | RDKit |
| -0.2171 | RDKit | |
| Molar Refractivity | 81.9758 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 358.040561548 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
