2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-

Base Information

• Chemical Name: 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-
• CAS No.: 153881-27-7
• Molecular Formula: C14H19 N3 O5 S2
• Molecular Weight: 373.4478
• DSSTox Substance ID: DTXSID30165474
• Wikidata: Q76278926
• Mol file: 153881-27-7.mol

Synonyms:153881-27-7;2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-;DTXSID30165474;LS-40543

Chemical Property of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-

Chemical Property:

• Vapor Pressure: 4.91E-18mmHg at 25°C
• Boiling Point: 654.7°C at 760 mmHg
• Flash Point: 349.8°C
• Density: 1.61g/cm³
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 373.07661306
• Heavy Atom Count: 24
• Complexity: 470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC2=C(C=C(C(=C2S1)SCC(C(=O)O)N)CCN)O)C(=O)O
• Isomeric SMILES: C1[C@H](NC2=C(C=C(C(=C2S1)SC[C@@H](C(=O)O)N)CCN)O)C(=O)O