Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1)
• CAS No.: 86135-39-9
• Molecular Formula: C29H35N3O8S
• Molecular Weight: 585.6685

Synonyms:86135-39-9;Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1);C25H31N3O4S.C4H4O4;LS-40731;C25-H31-N3-O4-S.C4-H4-O4

Chemical Property of Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 3.94E-18mmHg at 25°C
• Boiling Point: 676°Cat760mmHg
• Flash Point: 362.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 585.21448626
• Heavy Atom Count: 41
• Complexity: 788

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCN(C)C4CCCCC4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCN(C)C4CCCCC4.C(=C/C(=O)O)\C(=O)O

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