1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate

Base Information

• Chemical Name: 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate
• CAS No.: 87767-36-0
• Molecular Formula: C20H28N6O8S4
• Molecular Weight: 608.7317

Synonyms:1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate;6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, 1,2-phenylene ester;87767-36-0;LS-99376

Chemical Property of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate

Chemical Property:

• Boiling Point: 654.3°Cat760mmHg
• Flash Point: 349.5°C
• Density: 1.37g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 608.08514657
• Heavy Atom Count: 38
• Complexity: 826

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOC(=O)N(C)SN(C)C(=O)OC1=CC=CC=C1OC(=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=CC=C1OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)C)C)/SC

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