AG003PAL

838-59-5 | Di(alpha-phenylethyl) Sulfide (DL- and meso- mixture),

AG003PAL

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CAS Number	838-59-5
Catalog Number	AG003PAL(AGN-PC-0UPMTX)
Chemical Name	Di(alpha-phenylethyl) Sulfide (DL- and meso- mixture),
IUPAC Name	1-(1-phenylethylsulfanyl)ethylbenzene
InChI	InChI=1S/C16H18S/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChI Key	NTKXWHALINJHQX-UHFFFAOYSA-N
MDL Number	MFCD00026342
Molecular Formula	C16H18S
Molecular Weight	242.3791
NSC Number	66452
SMILES	CC(SC(C1=CC=CC=C1)C)C2=CC=CC=C2
Synonyms	838-59-5, Di(alpha-phenylethyl) Sulfide, 1-Phenylethyl Sulfide, Bis(1-phenylethyl)sulfane, 1-(1-phenylethylsulfanyl)ethylbenzene, {1-[(1-phenylethyl)sulfanyl]ethyl}benzene, NSC66452, 1-phenylethyl monosulfide, AC1L6NBN, Di(1-phenylethyl) sulfide, AC1Q2C3Z, Di(alpha-phenylethyl)sulfide, SCHEMBL577805, AC1Q2C40, CTK5F1324, DTXSID40290089, BIS (alpha-PHENYLETHYL)SULFIDE, 6340AF, MFCD00026342, NSC-66452, AKOS024323055, MCULE-8529189296, D0889, Benzene,1,1'-(thiodiethylidene)bis- (9CI), 1,1'-[Sulfanediyldi(ethane-1,1-diyl)]dibenzene, DI SULFIDE, C16H18S, CID248893,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.38g/mol
Monoisotopic Mass	242.113g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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