AG001ECL

1468-84-4 | Benzo[b]thiophen-7(4H)-one, 5,6-dihydro-

AG001ECL

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CAS Number	1468-84-4
Catalog Number	AG001ECL(AGN-PC-0N3EO1)
Chemical Name	Benzo[b]thiophen-7(4H)-one, 5,6-dihydro-
IUPAC Name	5,6-dihydro-4H-1-benzothiophen-7-one
InChI	InChI=1S/C8H8OS/c9-7-3-1-2-6-4-5-10-8(6)7/h4-5H,1-3H2
InChI Key	JEJQJCKVMQVOHZ-UHFFFAOYSA-N
MDL Number	MFCD01860756
Molecular Formula	C8H8OS
Molecular Weight	152.2135
SMILES	O=C1CCCC2=C1SC=C2
Synonyms	1468-84-4, 5,6-Dihydrobenzo[b]thiophen-7(4H)-one, 5,6-dihydro-1-benzothiophen-7(4H)-one, 5,6-DIHYDRO-1-BENZOTHIOPHENE-7(4H)-ONE, 4,5,6,7-tetrahydro-1-benzothiophen-7-one, Benzo[b]thiophen-7(4H)-one, 5,6-dihydro-, 5,6-dihydro-4H-benzothiophen-7-one, SCHEMBL631537, CTK4C5157, DTXSID70438816, JEJQJCKVMQVOHZ-UHFFFAOYSA-N, 7286AA, 7287AA, ZINC38540763, AKOS006279910, 5,6-dihydro-4H-benzo[b]thiophen-7-one, AJ-96506, EN001130, 5,6-Dihydrobenzo[b]thiophen-7(4H);-one, Benzo[b]thiophen-7(4H)-one,5,6-dihydro-, 7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene, 5,6-DIHYDRO-4H-1-BENZOTHIOPHEN-7-ONE, C8H8OS, C7H13N, CID10374628, CIS-7-AZABICYCLO[3.3.0]OCTANE, 5,6-DIHYDRO-1-BENZOTHIOPHENE-7 -ONE, 1468-87-7,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.03g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.211g/mol
Monoisotopic Mass	152.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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