chempirical

6-Nitro-benzooxazole-2-thiol

C7H4N2O3SCAS 14541-93-6196.18 g/mol

Open in Covalent MOL file
N+OO−OSNH
Nitro

Properties

Molecular formula
C7H4N2O3S
Molar mass
196.18 g/mol
Exact mass
195.9943 Da
logP
2.40Crippen estimate
Polar surface area
72.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
14541-93-6
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])OC(=S)N2
InChIKey
GCVNWXZRBBCASB-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O3S/c10-9(11)4-1-2-5-6(3-4)12-7(13)8-5/h1-3H,(H,8,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 6-Nitro-benzooxazole-2-thiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-nitrobenzimidazole6232-92-449 % similar 3-Nitrodibenzofuran5410-97-947 % similar 2-Methyl-5-nitroindole7570-47-045 % similar 5-Nitroindole6146-52-745 % similar 2-Amino-6-nitrobenzothiazole6285-57-044 % similar 2,3-Dimethyl-5-nitro-1H-indole21296-94-643 % similar 6-Nitro-2-benzoxazolone4694-91-143 % similar 2-Methyl-6-nitrobenzoxazole5683-43-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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