chempirical

3-Thiophenemethanamine

C5H7NSCAS 27757-86-4113.18 g/mol

Open in Covalent MOL file
H2NS
Primary amine

Properties

Molecular formula
C5H7NS
Molar mass
113.18 g/mol
Exact mass
113.0299 Da
logP
1.21Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
27757-86-4
SMILES
NCc1ccsc1
InChIKey
DUDAKCCDHRNMDJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2

Weigh it out

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

Names and synonyms

8 names
  • 3-Thenylamine
  • [(Thien-3-yl)methyl]amine
  • [(Thiophen-3-yl)methyl]amine
  • 3-(Aminomethyl)thiophene
  • Thiophen-3-ylmethanamine
  • Thien-3-ylmethanamine
  • 1-Thien-3-ylmethanamine
  • 3-Thiophenemethylamine

Work with 3-Thiophenemethanamine

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-Ethylthiophene1795-01-352 % similar 3-Thiophenemethanol71637-34-852 % similar P-Xylylenediamine539-48-048 % similar 3-Thiopheneacetonitrile13781-53-846 % similar Thiophene-3-acetic acid6964-21-243 % similar 3-Thiopheneacetic acid hydrazide175276-94-542 % similar Poly(3-hexylthiophene)104934-50-142 % similar 3-Dodecylthiophene104934-52-342 % similar

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

Same formula

2-Thiophenemethanamine27757-85-3 4,5-Dimethylthiazole3581-91-7 2,5-Dimethylthiazole4175-66-0 2,4-Dimethylthiazole541-58-2

Elsewhere

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