2-Chloro-5,6-dihydrobenzothiophen-7(4H)-one - CAS 19945-37-0

Catalog:	BB070056
Product Name:	2-Chloro-5,6-dihydrobenzothiophen-7(4H)-one
CAS:	19945-37-0
Synonyms:	2-Chloro-5,6-dihydrobenzo[b]thiophen-7(4H)-one; 2-chloro-5,6-dihydro-4H-1-benzothiophen-7-one; 2-chloro-5,6-dihydro-1-benzothiophen-7(4H)-one; 2-Chloro-5,6-dihydrobenzothiophen-7(4H)-one

Technical Data

IUPAC Name:	2-chloro-5,6-dihydro-4H-1-benzothiophen-7-one
Description:	2-Chloro-5,6-dihydrobenzothiophen-7(4H)-one is an intermediate used to prepare alpha,beta-unsaturated imines as insecticides.
Molecular Weight:	186.66
Molecular Formula:	C8H7ClOS
Canonical SMILES:	C1CC2=C(C(=O)C1)SC(=C2)Cl
InChI:	InChI=1S/C8H7ClOS/c9-7-4-5-2-1-3-6(10)8(5)11-7/h4H,1-3H2
InChI Key:	HKGSMAJXWGOORV-UHFFFAOYSA-N
References:	Werner, S., et al. PCT Int. Appl., WO 2012072489 A1 20120607 (2012).

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.9906137
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.9906137
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3