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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 Weight:
358.40100000000007 g/mol
Names and Synonyms:
Obsh
Common Name
Neocellborn SB 51
Synonym
Neocellborn N 1000
Synonym
Tracel OBSH 80PR
Synonym
JSJ 118-60S
Synonym
Blowing Agent OB
Synonym
OT
Synonym
Cellcom OBSH
Synonym
Tracel OBSH
Synonym
4,4′-Oxydibenzenesulfonyl hydrazide
Synonym
4,4-Oxy-bis-(benzenesulphonylhydrazide)
Synonym
150D
Synonym
Neocellborn 1000M
Synonym
N 1000M
Synonym
Neocellborn N 1000M
Synonym
Neocellborn NT-N
Synonym
EE 188E
Synonym
Neocellborn 41000S
Synonym
Luvopor OB
Synonym
Tracel OBSH 160NER
Synonym
Neocellborn N 5000W
Synonym
Rhenoslab OBSH 75
Synonym
N 1000S
Synonym
Akrosperse BBSH75EPR-S
Synonym
HM 80NP
Synonym
Neothlene HM 80NP
Synonym
Neocellborn N 7000
Synonym
Cellmic SX
Synonym
EH 80 (blowing agent)
Synonym
EH 80
Synonym
Neocellborn 1000S
Synonym
Celogen OT 1
Synonym
Lagocell BO 20
Synonym
Neothlene HM 806P
Synonym
4,4′-Oxybis(benzenesulfohydrazide)
Synonym
NSC 5318
Synonym
Neocellborn N 1000SW
Synonym
N 1000SW
Synonym
Unicell OH
Synonym
Neocellborn P 100
Synonym
S 250 (blowing agent)
Synonym
S 250
Synonym
Neocellborn 1000SW
Synonym
Unifoam AZ 90
Synonym
AZ-B 95
Synonym
Neocellborn N 50
Synonym
Celogen TO
Synonym
Neocellborn N 5000
Synonym
Neocellborn N 1000S
Synonym
Neocellborn P 1000
Synonym
4,4′-Bis(hydrazinosulfonyl)diphenyl ether
Synonym
Neocellborn FE 9
Synonym
FE 9
Synonym
Neocellborn P 1000M
Synonym
p,p′-Oxybis(benzenesulfone hydrazide)
Synonym
Dihydrazide SDO
Synonym
Cellmic S
Synonym
4,4′-Oxybis(benzenesulfonic acid) dihydrazide
Synonym
4,4′-Oxybis(benzenesulfonic acid hydrazide)
Synonym
4,4′-Oxydi(benzenesulfonic acid hydrazide)
Synonym
Diphenyl oxide 4,4′-disulfohydrazide
Synonym
Genitron OB
Synonym
Diphenyl ether 4,4′-disulfohydrazide
Synonym
OBSH
Synonym
p,p′-Oxybis(benzenesulfonylhydrazine)
Synonym
4,4′-Oxydibenzenesulfonic acid dihydrazide
Synonym
4,4′-Oxybis(benzenesulfonyl hydrazide)
Synonym
p,p′-Oxybis(benzenesulfonyl hydrazide)
Synonym
p,p′-Oxybis(benzenesulfohydrazide)
Synonym
Celogen OT
Synonym
Benzenesulfonic acid, 4,4′-oxybis-, dihydrazide
Synonym
Benzenesulfonic acid, 4,4′-oxydi-, dihydrazide
Synonym
Benzenesulfonic acid, 4,4′-oxybis-, 1,1′-dihydrazide
Synonym
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 358.40 g/mol | Legacy Database |
| density | 1.52 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(NN)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)NN)C=C1 None | Legacy Database |
| cas-density | 1.52 g/cm3 None | Legacy Database |
| LogP | -0.2170999999999994 | RDKit |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=NBOCQTNZUPTTEI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 150-160 °C (decomp) None | Legacy Database |
| cas-name | OBSH None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 358.40100000000007 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 358.040561548 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 153.61 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 81.9758 | RDKit |