AG003BWI

623-13-2 | (4-Methylthio)toluene

AG003BWI

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CAS Number	623-13-2
Catalog Number	AG003BWI(AGN-PC-0JL8YD)
Chemical Name	(4-Methylthio)toluene
EC Number	210-773-8
IUPAC Name	1-methyl-4-methylsulfanylbenzene
InChI	InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChI Key	VHILIAIEEYLJNA-UHFFFAOYSA-N
MDL Number	MFCD00008560
Molecular Formula	C8H10S
Molecular Weight	138.2300
NSC Number	6256
SMILES	CC1=CC=C(SC)C=C1
Synonyms	methyl 4-tolylsulfide, methyl p-tolylsulfide, Methyl p-tolyl sulfide, 623-13-2, 4-Methylthioanisole, 4-(Methylthio)toluene, p-(Methylthio)toluene, Benzene, 1-methyl-4-(methylthio)-, p-Tolyl methyl sulfide, (4-Methylthio)toluene, p-Methylphenyl methyl sulfide, Methyl p-cresyl sulfide, p-Cresyl methyl sulfide, Sulfide, methyl p-tolyl, 4-Methyl-(1-thiaethyl)benzene, methyl(p-tolyl)sulfane, Methyl p-tolyl sulphide, 1-methyl-4-(methylthio)benzene, 1-Methyl-4-(methylsulfanyl)benzene, NSC 6256, 1-methyl-4-methylsulfanyl-benzene, VHILIAIEEYLJNA-UHFFFAOYSA-N, MFCD00008560, methyl p-tolylsulfide, 4-methylthiotoluene, 4-methyl-thioanisol, EINECS 210-773-8, 4-Methyl(thioanisole), p-tolyl methyl sulphide, PubChem10672, AI3-18866, AC1L2BMT, AC1Q7DWK, 4-(methylsulfanyl)toluene, p-Thiocresol, S-methyl-, 4-methylphenyl methylsulfide, SCHEMBL76792, methyl 4-methylphenyl sulfide, ACMC-209n23, Methyl p-tolyl sulfide, 99%, DTXSID6060765, 1-methyl-4-(methylthio)-benzen, 1-methyl-4-methylsulfanylbenzene, CTK3J0537, Methyl (4-methylphenyl) sulfide, Sulfide, methyl p-tolyl (8CI), VHILIAIEEYLJNA-UHFFFAOYSA-, NSC6256, CHEBI:134483, NSC-6256, ZINC1693361, ANW-34153, 1-Methyl-4-(methylsulfanyl)benzene #, AKOS006220695, AS04302, FS-4204, RP20475, RTR-021419, VZ35535, AC-16445, AN-46758, CJ-28312, I356, SC-46181, DB-054128, TL8004105, TR-021419, FT-0628800, M0949, I09-1485, J-522644, InChI=1/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3, toluene, Methylp-tolyl sulfide, methyl 4-tolylsulfide, C8H10S, C8-H10-S, CID69334, AR-1K9568, Methyl p-tolyl sulfide, 99% - 100G 100g, C544071, 70833-52-2,

Complexity	72.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.05g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.228g/mol
Monoisotopic Mass	138.05g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H227-H302
Packing Group	Ⅲ
Precautionary statements	P210-P280-P370+P378-P403+P235-P501-P261
UN Code	UN 3334

Certificate of Analysis

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