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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
Names and Synonyms:
Obsh
Benzenesulfonic acid, 4,4′-oxybis-, 1,1′-dihydrazide
Benzenesulfonic acid, 4,4′-oxydi-, dihydrazide
Benzenesulfonic acid, 4,4′-oxybis-, dihydrazide
Celogen OT
p,p′-Oxybis(benzenesulfohydrazide)
p,p′-Oxybis(benzenesulfonyl hydrazide)
4,4′-Oxybis(benzenesulfonyl hydrazide)
4,4′-Oxydibenzenesulfonic acid dihydrazide
p,p′-Oxybis(benzenesulfonylhydrazine)
OBSH
Diphenyl ether 4,4′-disulfohydrazide
Genitron OB
Diphenyl oxide 4,4′-disulfohydrazide
4,4′-Oxydi(benzenesulfonic acid hydrazide)
4,4′-Oxybis(benzenesulfonic acid hydrazide)
4,4′-Oxybis(benzenesulfonic acid) dihydrazide
Cellmic S
Dihydrazide SDO
p,p′-Oxybis(benzenesulfone hydrazide)
Neocellborn P 1000M
FE 9
Neocellborn FE 9
4,4′-Bis(hydrazinosulfonyl)diphenyl ether
Neocellborn P 1000
Neocellborn N 1000S
Neocellborn N 5000
Celogen TO
Neocellborn N 50
AZ-B 95
Unifoam AZ 90
Neocellborn 1000SW
S 250
S 250 (blowing agent)
Neocellborn P 100
Unicell OH
N 1000SW
Neocellborn N 1000SW
NSC 5318
4,4′-Oxybis(benzenesulfohydrazide)
Neothlene HM 806P
Lagocell BO 20
Celogen OT 1
Neocellborn 1000S
EH 80
EH 80 (blowing agent)
Cellmic SX
Neocellborn N 7000
Neothlene HM 80NP
HM 80NP
Akrosperse BBSH75EPR-S
N 1000S
Rhenoslab OBSH 75
Neocellborn N 5000W
Tracel OBSH 160NER
Luvopor OB
Neocellborn 41000S
EE 188E
Neocellborn NT-N
Neocellborn N 1000M
N 1000M
Neocellborn 1000M
150D
4,4-Oxy-bis-(benzenesulphonylhydrazide)
4,4′-Oxydibenzenesulfonyl hydrazide
Tracel OBSH
Cellcom OBSH
OT
Blowing Agent OB
JSJ 118-60S
Tracel OBSH 80PR
Neocellborn N 1000
Neocellborn SB 51
Identifiers:
SMILES:
NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
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
Key Properties
Melting Point
150-160 °C (decomp)
CAS Common Chemistry
Density
1.52 g/cm³
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 | 358.40 g/mol | CAS Common Chemistry |
| 358.40100000000007 g/mol | RDKit | |
| 358.040561548 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 81.9758 | RDKit |
