CAS No.61968-76-1,Alcian Yellow Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61968-76-1
Name:	Alcian Yellow

Formula:	C₄₀H₄₆Cl₂N₈S₄
Molecular Weight:	802.5593
Synonyms:	AlcianYellow;Alcian Yellow G;Alcian Yellow GX;C.I. 12840;Ingrain Yellow 1;
Melting Point:	167-169°C (dec.)
Solubility:	Soluble in ethanol
Appearance:	Orange powder with a brown cast
Hazard Symbols:	T
Risk Codes:	36/37/38-61
Safety:	45-53
PSA:	170.08000
LogP:	4.12600

Total:21 Page 1 of 1 1

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Specification

The cas register number of Alcian Yellow is 61968-76-1. It also can be called as [Dimethylamino-[[2-[4-[4-[5-[(dimethylaminodimethylazaniumylidenemethyl)sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenylphenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]dimethylazanium chloride and the IUPAC Name about this chemical is [dimethylamino-[[2-[4-[[4-[5-[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]-dimethylazanium dichloride.

Physical properties about are: (1)H-Bond Acceptor: 8; (2)Rotatable Bond Count: 12; (3)Exact Mass: 836.210532; (4)MonoIsotopic Mass: 836.210532; (5)Topological Polar Surface Area: 170; (6)Heavy Atom Count: 54; (7)Complexity: 1130; (8)Covalently-Bonded Unit Count: 3.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it may cause harm to the unborn child. When you are using it, please avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: S(/C(=[N+](/C)C)N(C)C)Cc1cc2nc(sc2cc1C)c6ccc(/N=N/c5ccc(c3nc4cc(c(cc4s3)C)CS/C(=[N+](/C)C)N(C)C)cc5)cc6
(2)InChI: InChI=1/C40H46N8S4/c1-25-19-35-33(21-29(25)23-49-39(45(3)4)46(5)6)41-37(51-35)27-11-15-31(16-12-27)43-44-32-17-13-28(14-18-32)38-42-34-22-30(26(2)20-36(34)52-38)24-50-40(47(7)8)48(9)10/h11-22H,23-24H2,1-10H3/q+2/b44-43+
(3)InChIKey: QMKQNEXRGZFFKQ-VGFSZAGXBQ
(4)Std. InChI: InChI=1S/C40H46N8S4/c1-25-19-35-33(21-29(25)23-49-39(45(3)4)46(5)6)41-37(51-35)27-11-15-31(16-12-27)43-44-32-17-13-28(14-18-32)38-42-34-22-30(26(2)20-36(34)52-38)24-50-40(47(7)8)48(9)10/h11-22H,23-24H2,1-10H3/q+2/b44-43+
(5)Std. InChIKey: QMKQNEXRGZFFKQ-VGFSZAGXSA-N