1-(2,2′-bithiophen-5-yl)methanamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.

Bi- and oligothiophenes

Organic compounds

Organoheterocyclic compounds

Bi- and oligothiophenes

Calculated Property

kind Value Source
logP 2.74 ALOGPS
logS -3.1 ALOGPS
Water Solubility 1.37e-01 g/l ALOGPS
logP 2.43 ChemAxon
IUPAC Name [5-(thiophen-2-yl)thiophen-2-yl]methanamine ChemAxon
Traditional IUPAC Name [5-(thiophen-2-yl)thiophen-2-yl]methanamine ChemAxon
Molecular Weight 195.304 ChemAxon
Monoisotopic Weight 195.017640673 ChemAxon
SMILES NCC1=CC=C(S1)C1=CC=CS1 ChemAxon
Molecular Formula C9H9NS2 ChemAxon
InChI InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2 ChemAxon
InChIKey InChIKey=FHYTVXBZSXZMGD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 26.02 ChemAxon
Refractivity 53.23 ChemAxon
Polarizability 20.94 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 8.77 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Leukotriene A-4 hydrolase : in Human