Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 15086-20-1
• Molecular Formula: C29H30N2O3S3
• Molecular Weight: 550.767
• European Community (EC) Number: 239-136-2
• DSSTox Substance ID: DTXSID5065853
• Mol file: 15086-20-1.mol

Synonyms:15086-20-1;Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1);EINECS 239-136-2;C22H23N2S2.C7H7O3S;(2E)-3-Ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;C22-H23-N2-S2.C7-H7-O3-S;Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1);Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1);DTXSID5065853;PVRZIWDHDSZPFF-UHFFFAOYSA-M;(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole

Chemical Property of Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 130.87000
• Density: g/cm³
• LogP: 7.38980
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 550.14185634
• Heavy Atom Count: 37
• Complexity: 704

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C(=C\C3=[N+](C4=CC=CC=C4S3)CC)\C.CC1=CC=C(C=C1)S(=O)(=O)[O-]