AG00057U

10169-55-8 | Ethanone, 1-[4-(phenylthio)phenyl]-

AG00057U

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CAS Number	10169-55-8
Catalog Number	AG00057U(AGN-PC-0JL73H)
Chemical Name	Ethanone, 1-[4-(phenylthio)phenyl]-
EC Number	233-443-5
IUPAC Name	1-(4-phenylsulfanylphenyl)ethanone
InChI	InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChI Key	XUDYHODVSUXRPW-UHFFFAOYSA-N
MDL Number	MFCD00026227
Molecular Formula	C14H12OS
Molecular Weight	228.3095
NSC Number	158592
SMILES	CC(C1=CC=C(SC2=CC=CC=C2)C=C1)=O
Synonyms	10169-55-8, 4-Acetyldiphenyl Sulfide, 1-(4-(Phenylthio)phenyl)ethanone, 4-Acetyl diphenyl sulfide, 1-(4-phenylsulfanylphenyl)ethanone, 4'-(Phenylthio)acetophenone, 1-[4-(phenylsulfanyl)phenyl]ethanone, 1-(4-(Phenylthio)phenyl)ethan-1-one, Ethanone, 1-[4-(phenylthio)phenyl]-, XUDYHODVSUXRPW-UHFFFAOYSA-N, 1-[4-(phenylthio)phenyl]ethan-1-one, 1-acetyl-4-phenylthiobenzene, 1-[4-(phenylthio)phenyl]ethanone, C14H12OS, EINECS 233-443-5, NSC158592, 4-AcetyldiphenylSulfide, PubChem10538, 4-Phenylthioacetophenone, 4-acetyl diphenylsulfide, Maybridge1_003159, MLS000546365, SCHEMBL194744, AC1L251C, CHEMBL1535918, HMS550H13, 4'-ACETYLDIPHENYL SULFIDE, DTXSID10144121, HMS2417E15, ZINC143028, 1-(4-(phenyl thio)phenyl)ethanone, KS-000017EF, MFCD00026227, SBB097326, STK332018, AKOS000219726, MCULE-9983485120, NSC-158592, RP27764, NCGC00246584-01, 1-[4-(phenylsulfanyl)phenyl]-1-ethanone, 1-[4-(phenylsulfanyl)phenyl]ethan-1-one, AJ-12486, I318, SMR000169535, AX8015329, FT-0607142, ST50410550, 1J-015, K-0246, A800437, C-13123, I09-1395, J-514286, 4'-(Phenylthio)acetophenone C14H12OS 228.32 64-68 degrees 183-184 degrees /3mm 10169-55-8 233-443-5 MFCD00026227 N, C14-H12-O-S, CID66287, Ethanone, 1-(4-(phenylthio)phenyl)-, A2355,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.061g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.309g/mol
Monoisotopic Mass	228.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number