Structure Database (LMSD)

Common Name
Alpha-T
Systematic Name
2,2'-bithiophene
Synonyms
LM ID
LMFA12000345
Formula
C8H6S2
Exact Mass
Calculate m/z
165.991094
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.

https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub

String Representations

InChiKey (Click to copy)
OHZAHWOAMVVGEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
SMILES (Click to copy)
C1=CC=C(C2=CC=CS2)S1

Other Databases

CHEBI ID
36821
PubChem CID
68120

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 2
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 126.90
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.48
Molar Refractivity 47.63

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Updated at
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