6-Nitro-benzooxazole-2-thiol

Base Information

• Chemical Name: 6-Nitro-benzooxazole-2-thiol
• CAS No.: 14541-93-6
• Molecular Formula: C7H4N2O3S
• Molecular Weight: 196.186
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60366432
• Mol file: 14541-93-6.mol

Synonyms:14541-93-6;6-Nitro-benzooxazole-2-thiol;2-Mercapto-6-nitrobenzoxazole;6-nitro-3H-1,3-benzoxazole-2-thione;6-NITROBENZO[D]OXAZOLE-2-THIOL;6-Nitrobenzoxazole-2(3H)-thione;6-NITRO-1,3-BENZOXAZOLE-2-THIOL;6-Nitrobenzo[d]oxazole-2(3H)-thione;6-Nitrobenzooxazole-2-thiol;Oprea1_341166;6-nitro-2-mercaptobenzoxazole;6-nitrobenzoxazoline-2-thione;SCHEMBL5155914;DTXSID60366432;GCVNWXZRBBCASB-UHFFFAOYSA-N;2-Mercapto-6-nitrobenzo[d]oxazole;2(3H)-Benzoxazolethione, 6-nitro-;MFCD02725449;MFCD09702486;AKOS000116389;AKOS016372830;AB12680;6-Nitro-1,3-benzoxazole-2(3H)-thione;AS-38156;SY130022;CS-0101672;FT-0621268;EN300-03267;6-nitro-2,3-dihydro-1,3-benzoxazole-2-thione;A808364;[O-][N+](=O)C1=CC=C2N=C(S)OC2=C1;Z56822457

Chemical Property of 6-Nitro-benzooxazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.000105mmHg at 25°C
• Melting Point: 234-235 °C
• Refractive Index: 1.741
• Boiling Point: 337.4 °C at 760 mmHg
• PKA: 8.65±0.20(Predicted)
• Flash Point: 157.9 °C
• PSA: 110.65000
• Density: 1.65 g/cm³
• LogP: 2.54790
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 195.99426317
• Heavy Atom Count: 13
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

6-Nitro-Benzooxazole-2-Thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC(=S)N2