2-(2-((3-Ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium

Base Information

• Chemical Name: 2-(2-((3-Ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium
• CAS No.: 63815-64-5
• Molecular Formula: C28H34N2O5S2Se
• Molecular Weight: 621.67
• European Community (EC) Number: 264-472-1
• DSSTox Substance ID: DTXSID601101152
• Mol file: 63815-64-5.mol

Synonyms:63815-64-5;EINECS 264-472-1;2-(2-((3-Ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium;Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt;Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt;Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt;2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium;Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-buten-1-yl]-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt;C28H34N2O5S2Se;DTXSID601101152;C28-H34-N2-O5-S2-Se;Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-6-methoxy-5-methyl-3-(4-sulfobutyl)-, hydroxide, inner salt

Chemical Property of 2-(2-((3-Ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 138.81000
• Density: g/cm³
• LogP: 5.07190
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 622.10744
• Heavy Atom Count: 38
• Complexity: 942

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)C=C3N(C4=C(S3)C=C(C(=C4)C)OC)CCCCS(=O)(=O)[O-]
• Isomeric SMILES: CC/C(=C\C1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)OC)CCCCS(=O)(=O)[O-]