Chemical Property of 3-[(2Z)-2-[(2E)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;triethylazanium
Chemical Property:
- Melting Point:230 °C (dec.)(lit.)
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA:196.86000
- Density:g/cm3
- LogP:9.78950
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:12
- Exact Mass:781.23477092
- Heavy Atom Count:52
- Complexity:1210
- Purity/Quality:
-
98%Min *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:Xi
- Statements:
36/37/38
- Safety Statements:
26-36
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)[O-].CC[NH+](CC)CC
- Isomeric SMILES:CC/C(=C\C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])/C=C\4/N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)[O-].CC[NH+](CC)CC