6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester

Base Information

• Chemical Name: 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester
• CAS No.: 79006-76-1
• Molecular Formula: C29H38N6O8S4
• Molecular Weight: 726.97
• Mol file: 79006-76-1.mol

Synonyms:6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester;79006-76-1;C29H38N6O8S4;C29-H38-N6-O8-S4;LS-99367

Chemical Property of 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester

Chemical Property:

• Boiling Point: 739.9°Cat760mmHg
• Flash Point: 401.3°C
• Density: 1.28g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 16
• Exact Mass: 726.16339689
• Heavy Atom Count: 47
• Complexity: 1050

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Moderately toxic by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOC(=O)N(C)SN(C)C(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
• Isomeric SMILES: C/C(=N\OC(=O)N(SN(C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)(C)C)C)C)/SC