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