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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.

External Resources

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

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