Ethylmethylthiambutene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.

Heteroaromatic compounds

Organic compounds

Organoheterocyclic compounds

Heteroaromatic compounds

Calculated Property

kind Value Source
logP 4.61 ALOGPS
logS -3.6 ALOGPS
Water Solubility 6.76e-02 g/l ALOGPS
logP 4.56 ChemAxon
IUPAC Name [4,4-bis(thiophen-2-yl)but-3-en-2-yl](ethyl)methylamine ChemAxon
Traditional IUPAC Name ethylmethylthiambutene ChemAxon
Molecular Weight 277.448 ChemAxon
Monoisotopic Weight 277.095890993 ChemAxon
SMILES CCN(C)C(C)C=C(C1=CC=CS1)C1=CC=CS1 ChemAxon
Molecular Formula C15H19NS2 ChemAxon
InChI InChI=1S/C15H19NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-12H,4H2,1-3H3 ChemAxon
InChIKey InChIKey=MORSAEFGQPDBKM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 3.24 ChemAxon
Refractivity 91.42 ChemAxon
Polarizability 30.92 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 8.94 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