AG003LRV

3699-01-2 | 4-Methyldiphenyl sulfide

AG003LRV

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CAS Number	3699-01-2
Catalog Number	AG003LRV(AGN-PC-0D0INJ)
Chemical Name	4-Methyldiphenyl sulfide
IUPAC Name	1-methyl-4-phenylsulfanylbenzene
InChI	InChI=1S/C13H12S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3
InChI Key	CPZFPNKPHBCUOB-UHFFFAOYSA-N
MDL Number	MFCD00092378
Molecular Formula	C13H12S
Molecular Weight	200.2994
SMILES	CC1=CC=C(SC2=CC=CC=C2)C=C1
Synonyms	3699-01-2, 4-METHYLDIPHENYL SULFIDE, Phenyl p-Tolyl Sulfide, Phenyl(p-tolyl)sulfane, 4-Methyl diphenyl sulfide, Benzene, 1-methyl-4-(phenylthio)-, 1-methyl-4-phenylsulfanylbenzene, 1-methyl-4-(phenylsulfanyl)benzene, PubChem8649, phenyl-p-tolyl sulfide, 4-(Phenylthio)toluene, AC1L3BVA, ACMC-2097dw, AC1Q2N1E, Phenyl(4-methylphenyl) sulfide, SCHEMBL1109534, DTXSID70190482, ZINC1095307, ANW-13842, MFCD00092378, AKOS015898819, FCH1326222, MCULE-1823314963, RP25800, VZ29417, L747, SC-45905, TC-102587, FT-0634978, P1740, C-09520, I09-1460, J-515782, 4-aminobenzoic acid, C13H12S, CID138011, ZINC01095307, Phenyl p-tolyl sulfide, 99% - 25G 25g,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.066g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.299g/mol
Monoisotopic Mass	200.066g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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

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