AG003PNU

2168-93-6 | Di-n-butyl sulfoxide

AG003PNU

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CAS Number	2168-93-6
Catalog Number	AG003PNU(AGN-PC-0JKCYO)
Chemical Name	Di-n-butyl sulfoxide
EC Number	218-511-4
IUPAC Name	1-butylsulfinylbutane
InChI	InChI=1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChI Key	LOWMYOWHQMKBTM-UHFFFAOYSA-N
MDL Number	MFCD00002093
Molecular Formula	C8H18OS
Molecular Weight	162.2929
SMILES	O=S(CCCC)CCCC
Synonyms	Dibutyl sulfoxide, Butyl sulfoxide, 2168-93-6, n-Butyl sulfoxide, Dibutyl sulphoxide, Di-n-butyl sulfoxide, Di-n-butylsulfoxide, BUTANE, 1,1'-SULFINYLBIS-, Sulfoxide, dibutyl, 1-butylsulfinylbutane, MFCD00002093, LOWMYOWHQMKBTM-UHFFFAOYSA-N, EINECS 218-511-4, (butylsulfinyl)butane, BRN 1747425, AI3-62188, ACMC-209fnb, Butyl sulfoxide, 96%, 1-(Butylsulfinyl)butane, 1-(Butylsulfinyl)butane #, Butane,1-(butylsulfinyl)-, C8H18OS, 1-(butane-1-sulfinyl)butane, SCHEMBL148638, Jsp005254, CTK4E7495, DTXSID80176070, n-Butyl sulfoxide, 93%, tech., s178, AC1L2886, ZINC1545122, ANW-24549, SBB060669, AKOS015897433, MCULE-7738371145, D298, LS-45959, TC-113294, D1173, FT-0624683, ST50824829, 4-01-00-01561 (Beilstein Handbook Reference), A815610, I09-0191, I09-1881, W-107141, Tetramethylene sulfoxide, CID16568,

Complexity	81.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.108g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.291g/mol
Monoisotopic Mass	162.108g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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