Exciton(1+)

Base Information

• Chemical Name: Exciton(1+)
• CAS No.: 114720-33-1
• Molecular Formula: C28H30N2O3S2
• Molecular Weight: 506.68
• European Community (EC) Number: 624-489-0
• DSSTox Substance ID: DTXSID10921479
• Wikidata: Q27123651
• ChEMBL ID: CHEMBL1314043
• Mol file: 114720-33-1.mol

Synonyms:exciton(1+);Styryl 7;114720-33-1;4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline;CHEBI:52864;exciton cation;MLS000780023;SMR000420206;2-[(1E,3E)-4-(4-Dimethylamino-phenyl)-buta-1,3-dienyl]-3-ethyl-benzothiazol-3-ium;perchlorate;SCHEMBL2442132;CHEMBL1314043;BDBM64709;cid_5281952;DTXSID10921479;STL147066;AKOS005746967;NCGC00246447-01;BRD-K69795122-001-01-9;BRD-K69795122-074-01-6;Q27123651;2-{4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzothiazol-3-ium;[4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]phenyl]-dimethyl-amine;2-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzothiazol-3-ium;4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline;4-[4-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)but-2-en-1-ylidene]-N,N-dimethylcyclohexa-2,5-dien-1-iminium

Chemical Property of Exciton(1+)

Chemical Property:

• Appearance/Colour: dark green metallic fine powder
• Melting Point: 215 °C
• Refractive Index: 1.7140 (estimate)
• PSA: 100.94000
• Density: 1.1331 (rough estimate)
• LogP: 6.98120
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 335.15819492
• Heavy Atom Count: 24
• Complexity: 437

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)N(C)C
• Isomeric SMILES: CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C