6-Methoxy-2(3H)-benzothiazolone

C₈H₇NO₂SCAS 40925-65-3181.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇NO₂S
Molar mass: 181.21 g/mol
Exact mass: 181.0197 Da
logP: 1.60Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

40925-65-3

SMILES

COC1=CC2=C(C=C1)NC(=O)S2

InChIKey

NMPYQLRSABFZAG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO2S/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)

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Work with 6-Methoxy-2(3H)-benzothiazolone

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-6-methoxybenzothiazole1747-60-064 % similar 1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one2080-75-351 % similar 6-Acetyl-2(3H)-benzothiazolone133044-44-751 % similar 6-Nitro-2-benzothiazolinone28620-12-448 % similar 5-Methoxy-2-benzothiazolamine54346-87-148 % similar 6-Methoxy-2-methylbenzothiazole2941-72-244 % similar 5-Methoxy-2-methylindole1076-74-043 % similar 5-Methoxyindole1006-94-641 % similar

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

Same formula

4-Methylbenzenesulfonyl cyanide19158-51-1 4-(Methylsulfonyl)benzonitrile22821-76-7 (Phenylsulfonyl)acetonitrile7605-28-9

Elsewhere

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