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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
Neocellborn SB 51
Neocellborn N 1000
Tracel OBSH 80PR
JSJ 118-60S
Blowing Agent OB
OT
Cellcom OBSH
Tracel OBSH
4,4′-Oxydibenzenesulfonyl hydrazide
4,4-Oxy-bis-(benzenesulphonylhydrazide)
150D
Neocellborn 1000M
N 1000M
Neocellborn N 1000M
Neocellborn NT-N
EE 188E
Neocellborn 41000S
Luvopor OB
Tracel OBSH 160NER
Neocellborn N 5000W
Rhenoslab OBSH 75
N 1000S
Akrosperse BBSH75EPR-S
HM 80NP
Neothlene HM 80NP
Neocellborn N 7000
Cellmic SX
EH 80 (blowing agent)
EH 80
Neocellborn 1000S
Celogen OT 1
Lagocell BO 20
Neothlene HM 806P
4,4′-Oxybis(benzenesulfohydrazide)
NSC 5318
Neocellborn N 1000SW
N 1000SW
Unicell OH
Neocellborn P 100
S 250 (blowing agent)
S 250
Neocellborn 1000SW
Unifoam AZ 90
AZ-B 95
Neocellborn N 50
Celogen TO
Neocellborn N 5000
Neocellborn N 1000S
Neocellborn P 1000
4,4′-Bis(hydrazinosulfonyl)diphenyl ether
Neocellborn FE 9
FE 9
Neocellborn P 1000M
p,p′-Oxybis(benzenesulfone hydrazide)
Dihydrazide SDO
Cellmic S
4,4′-Oxybis(benzenesulfonic acid) dihydrazide
4,4′-Oxybis(benzenesulfonic acid hydrazide)
4,4′-Oxydi(benzenesulfonic acid hydrazide)
Diphenyl oxide 4,4′-disulfohydrazide
Genitron OB
Diphenyl ether 4,4′-disulfohydrazide
OBSH
p,p′-Oxybis(benzenesulfonylhydrazine)
4,4′-Oxydibenzenesulfonic acid dihydrazide
4,4′-Oxybis(benzenesulfonyl hydrazide)
p,p′-Oxybis(benzenesulfonyl hydrazide)
p,p′-Oxybis(benzenesulfohydrazide)
Celogen OT
Benzenesulfonic acid, 4,4′-oxybis-, dihydrazide
Benzenesulfonic acid, 4,4′-oxydi-, dihydrazide
Benzenesulfonic acid, 4,4′-oxybis-, 1,1′-dihydrazide
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 |
| 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 |
| LogP | -0.2170999999999994 | RDKit |
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 |
