Bgtcb

Base Information

• Chemical Name: Bgtcb
• CAS No.: 115664-52-3
• Molecular Formula: C24H32 Cl4 N6 O12 S2
• Molecular Weight: 802.49
• Mol file: 115664-52-3.mol

Synonyms:1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene;BCTB;1,4-bis(glutathion-S-yl)-1,2,3,4-tetrachlorobuta-1,3-diene;BGTCB

Chemical Property of Bgtcb

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1192.2°Cat760mmHg
• Flash Point: 674.8°C
• PSA: 409.20000
• Density: 1.62g/cm³
• LogP: 3.48200
• XLogP3: -6.6
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 21
• Exact Mass: 802.024423
• Heavy Atom Count: 48
• Complexity: 1270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)NC(CS)(C(=C(C(=C(C(CS)(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl)Cl)Cl)Cl)C(=O)NCC(=O)O)C(C(=O)O)N
• Isomeric SMILES: C([C@H](N)C(=O)O)CC(=O)N[C@](C(=O)NCC(=O)O)(/C(=C(\Cl)/C(=C(\Cl)/[C@](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CS)/Cl)/Cl)CS

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