chempirical

Benzo(b)thiophen-5-amine

C8H7NSCAS 20532-28-9149.21 g/mol

Open in Covalent MOL file
SH2N
Primary amine

Properties

Molecular formula
C8H7NS
Molar mass
149.21 g/mol
Exact mass
149.0299 Da
logP
2.48Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
20532-28-9
SMILES
C1=CC2=C(C=CS2)C=C1N
InChIKey
ZUPYTANKWDPRDP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2

Weigh it out

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

Names and synonyms

1 names
  • 1-Benzothiophen-5-amine

Work with Benzo(b)thiophen-5-amine

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

5-Methylbenzo[B]thiophene14315-14-152 % similar 5-Chlorobenzo[B]thiophene20532-33-652 % similar Benzothiophene95-15-844 % similar 2-Naphthylamine91-59-843 % similar 2-Aminoanthracene613-13-841 % similar 6-Benzothiazolamine533-30-239 % similar 6-Bromobenzo[B]thiophene17347-32-938 % similar 5-Aminoindole5192-03-038 % similar

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

Same formula

2-Methylbenzothiazole120-75-2 4-(Methylthio)benzonitrile21382-98-9 Tropeolin3012-37-1 2-(Phenylthio)acetonitrile5219-61-4 2-Methylphenyl isothiocyanate614-69-7 3-Methylphenyl isothiocyanate621-30-7 P-Tolyl isothiocyanate622-59-3 Benzyl isothiocyanate622-78-6

Elsewhere

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