7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one structure

7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one

7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one

Also Known As: benzothiet-2-one|2H-1-Thiabenzocyclobutene-2-one|7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one|2,4-Cyclohexadien-1-one,6-carbonyl|7-Thiabicyclo(4.2.0)octa-1,3,5-trien-8-one|7-Thia-bicyclo[4.2.0]octa-1,3,5-trien-8-one|8-THIABICYCLO[4.2.0]OCTA-1,3,5-TRIEN-7-ONE

CAS: 21083-36-3
Molecular Formula C7H4OS
Molecular Weight 135.99829 g/mol
LogP 1.8
Topological Polar Surface Area 42.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 135.99829
Monoisotopic Mass 135.99829
Heavy Atoms 9
Complexity 144.0

Chemical Identifiers

CAS Number 21083-36-3
SMILES C1=CC=C2C(=C1)C(=O)S2
InChIKey CAEMCYVDPUUSQT-UHFFFAOYSA-N

Product Overview

7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one (CAS 21083-36-3), with molecular formula C7H4OS and molecular weight 135.99829 g/mol. IUPAC: 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one.

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7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one is a custom synthesis product. We offer services from milligram to kilogram scale.

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