chempirical

Thiophen-3-amine

C4H5NSCAS 17721-06-199.15 g/mol

Open in Covalent MOL file
SH2N
Primary amine

Properties

Molecular formula
C4H5NS
Molar mass
99.15 g/mol
Exact mass
99.0143 Da
logP
1.33Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

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
17721-06-1
SMILES
C1=CSC=C1N
InChIKey
DKGYESBFCGKOJC-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NS/c5-4-1-2-6-3-4/h1-3H,5H2

Weigh it out

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

Names and synonyms

1 names
  • 3-Aminothiophene

Work with Thiophen-3-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thiophen-3-amine oxalate861965-63-1Salt

Similar compounds

3,3'-Bithiophene3172-56-345 % similar 3-Thiophenemethanamine27757-86-440 % similar 3-Iodothiophene10486-61-039 % similar 3-Chlorothiophene17249-80-839 % similar 3-Methylthiophene616-44-439 % similar 3-Bromothiophene872-31-139 % similar P-Phenylenediamine106-50-339 % similar 2-(3-Thienyl)ethanamine59311-67-037 % similar

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

Same formula

2-Methylthiazole3581-87-1 5-Methylthiazole3581-89-3 Cyclopropyl isothiocyanate56601-42-4 Allyl isothiocyanate57-06-7 4-Methylthiazole693-95-8

Elsewhere

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