2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine

Base Information

• Chemical Name: 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine
• CAS No.: 6010-55-5
• Molecular Formula: C14H11N3O2S2
• Molecular Weight: 317.386
• DSSTox Substance ID: DTXSID60362156
• Wikidata: Q82144967
• ChEMBL ID: CHEMBL1607643

Synonyms:2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine;2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine;6010-55-5;MLS000571812;CBMicro_040425;CHEMBL1607643;DTXSID60362156;HMS2446G14;SMR000193825;BIM-0040520.P001;SR-01000225258;2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-amine;SR-01000225258-1

Chemical Property of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine

Chemical Property:

• Vapor Pressure: 4.92E-13mmHg at 25°C
• Boiling Point: 570.7°Cat760mmHg
• Flash Point: 298.9°C
• Density: 1.49g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 317.02926895
• Heavy Atom Count: 21
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-]

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