DiSBAC1(3)

Base Information

• Chemical Name: DiSBAC1(3)
• CAS No.: 3316-73-2
• Molecular Formula: C15H16N4O4S2
• Molecular Weight: 380.44200
• DSSTox Substance ID: DTXSID30704509
• Mol file: 3316-73-2.mol

Synonyms:3316-73-2;DiSBAC1(3);DTXSID30704509;5,5'-(1-Propen-1-yl-3-ylidene)bis[1,3-dimethyl-2-thio-barbituric acid;5-[(2E)-3-(1,3-Dimethyl-4,6-dioxo-2-sulfanylidenehexahydropyrimidin-5-yl)prop-2-en-1-ylidene]-1,3-dimethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione;5-[(E)-3-(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Chemical Property of DiSBAC1(3)

Chemical Property:

• PSA: 145.42000
• LogP: -0.73260
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 380.06129735
• Heavy Atom Count: 25
• Complexity: 724

Purity/Quality:

97% ^*data from raw suppliers

5,5'-(1-PROPEN-1-YL-3-YLIDENE)BIS[1,3-DIMETHYL-2-THIO-BARBITURIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(C(=O)N(C1=S)C)C=CC=C2C(=O)N(C(=S)N(C2=O)C)C
• Isomeric SMILES: CN1C(=O)C(C(=O)N(C1=S)C)/C=C/C=C2C(=O)N(C(=S)N(C2=O)C)C