AG003S4G

59662-65-6 | Methyl(tosylmethyl)sulfane

AG003S4G

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CAS Number	59662-65-6
Catalog Number	AG003S4G(AGN-PC-0JSPIP)
Chemical Name	Methyl(tosylmethyl)sulfane
IUPAC Name	1-methyl-4-(methylsulfanylmethylsulfonyl)benzene
InChI	InChI=1S/C9H12O2S2/c1-8-3-5-9(6-4-8)13(10,11)7-12-2/h3-6H,7H2,1-2H3
InChI Key	XAARLLNXZJTFPQ-UHFFFAOYSA-N
MDL Number	MFCD00010750
Molecular Formula	C9H12O2S2
Molecular Weight	216.3204
SMILES	O=S(C1=CC=C(C)C=C1)(CSC)=O
Synonyms	Methylthiomethyl p-tolyl sulfone, 59662-65-6, Methyl(tosylmethyl)sulfane, MT-sulfone, XAARLLNXZJTFPQ-UHFFFAOYSA-N, Methylmercaptomethyl p-Tolyl Sulfone, MFCD00010750, 1-methyl-4-(methylsulfanylmethylsulfonyl)benzene, METHYLTHIOMETHYLP-TOLYLSULFONE, ACMC-209mf0, AC1LC5T1, SCHEMBL1368251, Methyl thioMethyl p-tolylsulfone, CTK8B1988, XAARLLNXZJTFPQ-UHFFFAOYSA-, ZINC57620, ANW-33322, 4-[(Methylthio)methylsulfonyl]toluene, Methyl p-Toluenesulfonylmethyl Sulfide, (Methylthio)(p-Toluenesulfonyl)methane, AKOS015840471, KS-000016V8, 59662-68-9, ZB002188, DB-053436, TR-020678, FT-0640624, M0875, METHYLTHIOMETHYL P-TOLYL SULFONE, 98%, 4-Methylphenyl (methylsulfanyl)methyl sulfone #, InChI=1/C9H12O2S2/c1-8-3-5-9(6-4-8)13(10,11)7-12-2/h3-6H,7H2,1-2H3, CID548421,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.028g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.313g/mol
Monoisotopic Mass	216.028g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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