AG003PBZ

621-08-9 | Benzene, 1,​1'-​[sulfinylbis(methyle​ne)​]​bis-

AG003PBZ

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CAS Number	621-08-9
Catalog Number	AG003PBZ(AGN-PC-0JKAF7)
Chemical Name	Benzene, 1,​1'-​[sulfinylbis(methyle​ne)​]​bis-
EC Number	210-668-7
IUPAC Name	benzylsulfinylmethylbenzene
InChI	InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key	HTMQZWFSTJVJEQ-UHFFFAOYSA-N
MDL Number	MFCD00004782
Molecular Formula	C14H14OS
Molecular Weight	230.3254
NSC Number	55
SMILES	C(S(=O)Cc1ccccc1)c1ccccc1
UNII	554PDF1275
Synonyms	Dibenzyl sulfoxide, Benzyl sulfoxide, 621-08-9, Dibenzylsulfoxide, Tardiol D, Sulfoxide, dibenzyl, Dibenzyl sulphoxide, (Sulfinylbis(methylene))dibenzene, Bis(phenylmethyl) sulfoxide, NSC 55, Benzene, 1,1'-[sulfinylbis(methylene)]bis-, UNII-554PDF1275, benzylsulfinylmethylbenzene, EINECS 210-668-7, BRN 2049262, Benzyl sulfoxide (6CI,8CI), AI3-62190, MLS002637483, CHEMBL190496, HTMQZWFSTJVJEQ-UHFFFAOYSA-N, (phenylmethanesulfinylmethyl)benzene, BENZENE, 1,1'-(SULFINYLBIS(METHYLENE))BIS-, 1,1'-(sulfinyldimethanediyl)dibenzene, 554PDF1275, 1,1'-[sulfinylbis(methylene)]dibenzene, Benzyl sulfoxide, 98+%, phenyl[benzylsulfinyl]methane, Benzyl sulphoxide, Preventol CI 5, PubChem10867, DIBENZYL-SULFOXIDE, SULFOXIDE,DIBENZYL, AC1L1YVR, ACMC-1BHE8, benzylsulfinyl-methyl-benzene, NSC55, WLN: R1SO&1R, Benzil-related compound, 61, 4-06-00-02651 (Beilstein Handbook Reference), SCHEMBL340372, sulfinylbis(methylene)dibenzene, [(Benzylsulfinyl)methyl]benzene, NSC-55, DTXSID8022088, BDBM22781, CTK5B4360, ZINC13562, (phenylmethyl)sulfinylmethylbenzene, [(Benzylsulfinyl)methyl]benzene #, KS-00000WW4, ANW-34063, MFCD00004782, SBB058830, [(phenylmethane)sulfinylmethyl]benzene, AKOS004907768, MCULE-2824076855, RP27916, Benzene,1'-[sulfinylbis(methylene)]bis-, NCGC00246832-01, AC-16487, AJ-08363, AN-21986, BC210422, LS-31198, SC-47271, SMR001547021, U363, ZB000713, 1,1'-[sulfinylbis(methylene)]bis-benzene, Benzene,1,1'-[sulfinylbis(methylene)]bis-, TL8004035, TR-021350, D0001, FT-0624664, ST51038544, A833587, AE-641/05560032, I01-2099, I14-56999, Z316995896, InChI=1/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H, Dibenzyl, Dibenzyl sulfide, C14H14OS, C14-H14-O-S, CID12116, c0898, Benzyl sulfoxide, 98% - 100G 100g,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.077g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.325g/mol
Monoisotopic Mass	230.077g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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