2-Mercapto-5-methylbenzoxazole

C₈H₇NOSCAS 22876-22-8165.21 g/mol

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Properties

Molecular formula: C₈H₇NOS
Molar mass: 165.21 g/mol
Exact mass: 165.0248 Da
logP: 2.80Crippen estimate
Polar surface area: 28.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H319 Causes serious eye irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

22876-22-8

SMILES

CC1=CC2=C(C=C1)OC(=S)N2

InChIKey

SSWZUOXLFTXIEZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NOS/c1-5-2-3-7-6(4-5)9-8(11)10-7/h2-4H,1H3,(H,9,11)

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Names and synonyms

1 names

5-Methyl-1,3-benzoxazole-2(3H)-thione

Work with 2-Mercapto-5-methylbenzoxazole

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

3,6-Dimethylcarbazole5599-50-844 % similar 6-Nitro-benzooxazole-2-thiol14541-93-643 % similar 6-Methylindole3420-02-837 % similar 2,5-Dimethylbenzoxazole5676-58-437 % similar 5-Methyl-2-benzothiazolamine14779-17-036 % similar 6-Methylcoumarin92-48-836 % similar Pigment red 122980-26-736 % similar 2,5-Dimethylindole1196-79-835 % similar

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

Same formula

4-(Methylthio)phenyl isocyanate1632-84-4 4-Methoxyphenyl isothiocyanate2284-20-0 2-Methyl-1,2-benzothiazol-3(2H)-one2527-66-4 3-(Methylthio)phenyl isocyanate28479-19-8 6-Methoxybenzothiazole2942-13-4 1-Isothiocyanato-3-methoxybenzene3125-64-2 2-Methoxyphenyl isothiocyanate3288-04-8 (1,3-Benzothiazol-2-yl)methanol37859-42-0

Elsewhere

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