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D-MS
CAS: 16090-02-1 | C40H40N12Na2O8S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16090-02-1
Molecular Formula:
C40H40N12Na2O8S2
Molecular Weight:
926.9499999999997 g/mol
Names and Synonyms:
D-MS
C.I. Fluorescent Brightener 260
CBUS 450
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
2,2′-Stilbenedisulfonic acid, 4,4′-bis[(4-anilino-6-morpholino-s-triazin-2-yl)amino]-, disodium salt
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Disodium 4,4′-bis(4-anilino-6-morpholino-s-triazin-2-ylamino)stilbene-2,2′-disulfonate
Sodium 4,4′-bis(2-anilino-4-morpholino-6-amino-1,3,5-triazinyl)stilbene-2,2′-disulfonate
Disodium 4,4′-bis(2-anilino-4-morpholino-1,3,5-triazin-6-ylamino)-2,2′-stilbenedisulfonate
Disodium 4,4′-bis[(2-anilino-4-morpholino-s-triazin-6-yl)amino]-2,2′-stilbenedisulfonate
Disodium 4,4′-bis(4-anilino-2-morpholino-s-triazin-6-ylamino)stilbene-2,2′-disulfonate
4,4′-Bis[4′′-anilino-6′′-morpholinotriazinyl-2′′-amino]stilbene-2,2′-disulfonic acid disodium salt
4,4′-Bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2′-disulfonic acidisulfonic acid d disodium salt
Disodium 4,4′-bis(2-morpholino-4-phenylamino-s-triazin-6-ylamino)stilbine-2,2′-disulfonate
Tinopal AMS
Blankophor MBBH
C.I. Fluorescent Brightener 260
Tinopal EMS
Blankophor BBH
Mikephor TB
MBBH 766
Tinopal DMS-X
C.I. Fluorescent Brightener 71
Calcofluor White RC
Leukopur PAM
Stralex MD
Belotex KD
Hiltamine Arctic White DML
Phorwite MBBH 766
C.I. Fluorescent Brightener 244
Heliofor 3BC
C.I. Fluorescent Brightener 250
Heliofor BDC
Rylux D
C.I. 40625
Fluorescent Brightener 71
Whitex SA
Kayaphor MAS
Whitex SA extra conc.(H)
Blancophor BBH
Optiblanc 2MG
DAS 1
Blankophor DML
Belofor KD 2
Tinopal DMS
Photine CBUS 560B
Photine CBUS
Brightener BR 15
DAS 1 (brightener)
Tinopal AMS-GX
4,4′-Bis[(6-anilino-4-morpholino-1,3,5-triazin-2-yl)amino]-2,2′-disulfostilbene disodium salt
Disodium 4,4′-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonate
FB 71
Tinopal DMA-X
4,4′-Bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid disodium salt
Fluorescent Brightener 260
Fluorescent Brightener CXT
CXT
Optiblanc 2M/G-LT
DMS
DMA-X
2M/G-LT
Brightener 33
Tinopal DMA
Photine CBUS-B 560
Disodium anilinomorpholinotriazinyl-aminostilbenesulfonate
Identifiers:
SMILES:
O=S(=O)(O)c1cc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)ccc1C=Cc1ccc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)cc1S(=O)(=O)O.[Na].[Na]
InChI:
InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;
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 | 926.95 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)N4CCOCC4)NC=5C=CC=CC5)NC6=NC(=NC(=N6)N7CCOCC7)NC=8C=CC=CC8 None | Legacy Database |
| cas-inchi | InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);; None | Legacy Database |
| cas-inchi-key | InChIKey=PFPSOHUWWBPJTI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >270 °C None | Legacy Database |
| cas-name | C.I. Fluorescent Brightener 260 None | Legacy Database |
| LogP | 2.2940000000000023 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 926.9499999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 926.2328868000002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 64 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 14 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 10 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 272.05999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 238.66599999999954 | RDKit |
