105176-22-5
5-[3-ETHOXY-4-(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-2-BUTENYLIDENE]-3-ETHYL-2-[(3-ETHYL-4,5-DIPHENYL-2(3H)-THIAZOLYLIDENE)METHYL]-4,5-DIHYDRO-4-OXOTHIAZOLIUM IODIDE
Name
5-[3-ETHOXY-4-(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-2-BUTENYLIDENE]-3-ETHYL-2-[(3-ETHYL-4,5-DIPHENYL-2(3H)-THIAZOLYLIDENE)METHYL]-4,5-DIHYDRO-4-OXOTHIAZOLIUM IODIDE
Formula
C39 H40 N3 O2 S3 . I
MolWeight
805.862
1Identification
【Name】
5-[3-ETHOXY-4-(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-2-BUTENYLIDENE]-3-ETHYL-2-[(3-ETHYL-4,5-DIPHENYL-2(3H)-THIAZOLYLIDENE)METHYL]-4,5-DIHYDRO-4-OXOTHIAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00192129
【English Synonyms】
【Formula】
C39 H40 N3 O2 S3 . I
【MolWeight】
805.862
【Inchi】
InChI=1S/C39H40N3O2S3.HI/c1-6-40-31-24-27(5)20-22-32(31)45-34(40)25-30(44-9-4)21-23-33-39(43)42(8-3)36(46-33)26-35-41(7-2)37(28-16-12-10-13-17-28)38(47-35)29-18-14-11-15-19-29;/h10-26H,6-9H2,1-5H3;1H/q+1;/p-1/b30-21+,33-23+,34-25-;
【InChIKey】
InChIKey=RRGPZNSNORJTEB-FEXNTRRWSA-M
【SMILES】
CCN\1c2cc(ccc2S/C1=C\C(=C/C=C/3\C(=O)[N+](=C(S3)/C=C\4/N(C(=C(S4)c5ccccc5)c6ccccc6)CC)CC)\OCC)C.[I-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[3-ETHOXY-4-(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-2-BUTENYLIDENE]-3-ETHYL-2-[(3-ETHYL-4,5-DIPHENYL-2(3H)-THIAZOLYLIDENE)METHYL]-4,5-DIHYDRO-4-OXOTHIAZOLIUM IODIDE.cml
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Catalog No:3538210 up to kgs
Catalog No:3538210 up to kgs
Country/Region:Hong Kong
Business Type:Trading Company
http://www.advtechind.com
ORGANICA Feinchemie GmbH
Catalog No:12920 nullnull
Country/Region:Germany
Business Type:Trading Company
http://www.organica.de
Youchemicals Limited
Catalog No:Y25209
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com
More 105176-22-5 Suppliers>>