AG007U9G

1778-09-2 | 1-(4-(Methylthio)phenyl)ethanone

AG007U9G

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CAS Number	1778-09-2
Catalog Number	AG007U9G(AGN-PC-0JLBNM)
Chemical Name	1-(4-(Methylthio)phenyl)ethanone
EC Number	217-213-1
IUPAC Name	1-(4-methylsulfanylphenyl)ethanone
InChI	InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI Key	JECUZQLBQKNEMW-UHFFFAOYSA-N
MDL Number	MFCD00039835
Molecular Formula	C9H10OS
Molecular Weight	166.2401
NSC Number	403927
SMILES	CC(C1=CC=C(SC)C=C1)=O
Synonyms	1778-09-2, 4'-(Methylthio)acetophenone, 4-(Methylthio)acetophenone, 4'-methylthioacetophenone, 1-(4-(Methylthio)phenyl)ethanone, 4'-(Methylmercapto)acetophenone, 4-(Acetyl)thioanisole, 1-[4-(Methylsulfanyl)phenyl]ethanone, 1-(4-(Methylthio)phenyl)ethan-1-one, 1-[4-(methylsulfanyl)phenyl]ethan-1-one, Ethanone, 1-[4-(methylthio)phenyl]-, 1-[4-(methylthio)phenyl]ethanone, 1-(4-methylsulfanylphenyl)ethanone, 1-[4-(Methylthio)phenyl]ethan-1-one, 4-methylthioacetophenone, p-(methylthio)acetophenone, 4-methylmercaptoacetophenone, JECUZQLBQKNEMW-UHFFFAOYSA-N, MFCD00039835, 1-(4-methylsulfanyl-phenyl)-ethanone, Ethanone, 1-(4-(methylthio)phenyl)-, 1-acetyl-4-methylthiobenzene, EINECS 217-213-1, NSC403927, 1-p-tolylethanethione, PubChem3333, ACMC-209edk, AC1Q4GYE, 4'-methylthio acetophenone, AC1Q5EL8, 4'-(methylthio) acetophenone, 4-Acetylphenyl methyl sulfide, KSC493K1F, p-(Methylmercapto)acetophenone, SCHEMBL195321, 4-(Methylsulfenyl)acetophenone, AC1L2M19, Jsp003656, 1-Acetyl-4-(methylthio)benzene, 4-CH3S-C6H4-COCH3, DTXSID3075129, CTK3J3512, ZINC330143, 1-(4-methylthiophenyl)ethan-1-one, BCP20233, 4'-(Methylthio)acetophenone, 97%, ANW-22902, BBL009965, SBB088031, STK801365, AKOS000123187, FS-1766, MCULE-9369378451, NSC-403927, RP22940, VZ27925, 1-(4-Methylsulphanylphenyl)-1-ethanone, KS-00000J08, 1-[4-(Methylsulfanyl)phenyl]ethanone #, NCGC00342931-01, AK164075, AN-49872, CJ-02733, L761, SC-01854, ST088589, ZB010490, AB0014872, AB1002250, RT-001516, TL8006800, FT-0616801, M1672, EN300-11162, K-5452, AB01334813-02, 778M092, AB-131/40227350, J-802122, W-107825, null, C9H10OS, beta-Phenethyl isothiocyanate, C9-H10-O-S, KST-1B1177, CID74501, AR-1B1607, A3943, 18156-38-2,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.045g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.238g/mol
Monoisotopic Mass	166.045g/mol
Rotatable Bond Count	2
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	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number