NAPHTHO[2,1-B]THIOPHENE-1-OL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60209370

Structure

InChI Key BNJIPQODGVBLQG-UHFFFAOYSA-N
Smiles OC1=CSC2=CC=C3C=CC=CC3=C12
InChI
InChI=1/C12H8OS/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-7,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8OS
Molecular Weight 200.03
AlogP 3.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 60569-00-8
NORMAN SUSDAT
PubChem 108967
CONTENTS