AG002Z33

2968-13-0 | 2-Propanone, 1-[(4-fluorophenyl)thio]-

AG002Z33

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CAS Number	2968-13-0
Catalog Number	AG002Z33(AGN-PC-0KK8K5)
Chemical Name	2-Propanone, 1-[(4-fluorophenyl)thio]-
IUPAC Name	1-(4-fluorophenyl)sulfanylpropan-2-one
InChI	InChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChI Key	MKJQBSVPZYELIJ-UHFFFAOYSA-N
MDL Number	MFCD00179340
Molecular Formula	C9H9FOS
Molecular Weight	184.2306
SMILES	CC(CSC1=CC=C(F)C=C1)=O
Synonyms	2968-13-0, (4-Fluorophenylthio)propan-2-one, (4-Fluorophenylthio)acetone, 1-((4-Fluorophenyl)thio)propan-2-one, 1-(4-fluorophenyl)sulfanylpropan-2-one, 1-(4-fluorophenylthio)propan-2-one, MFCD00179340, 1-[(4-fluorophenyl)sulfanyl]propan-2-one, 1-(4-fluorophenylthio)acetone, ACMC-20apn4, AC1MC7ED, SCHEMBL3430422, CTK8C6330, 1-[(4-fluorophenyl)thio]acetone, DTXSID60372098, ZINC157348, SBB090182, AKOS008902205, MCULE-4598491505, 1-[(4-fluorophenyl)thio]-2-propanone, 1-(4-fluoro-phenylsulfanyl)propan-2-one, AS-40101, ZB006658, 2-Propanone, 1-[(4-fluorophenyl)thio]-, DB-047624, TR-033236, FT-0604775, ST50407107, A820004, I09-2816, ZINC00157348, CID2737496,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.228g/mol
Monoisotopic Mass	184.036g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number