AG003S09

57500-00-2 | Methyl furfuryl disulfide

AG003S09

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CAS Number	57500-00-2
Catalog Number	AG003S09(AGN-PC-0JL4UU)
Chemical Name	Methyl furfuryl disulfide
EC Number	260-773-7
FEMA Number	3362
IUPAC Name	2-[(methyldisulfanyl)methyl]furan
InChI	InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChI Key	CLSLQQCDHOZMDT-UHFFFAOYSA-N
MDL Number	MFCD00012326
Molecular Formula	C6H8OS2
Molecular Weight	160.2571
SMILES	CSSCC1=CC=CO1
UNII	1V1X0TA603
Synonyms	Methyl furfuryl disulfide, Furfuryl methyl disulfide, 57500-00-2, Furan, 2-[(methyldithio)methyl]-, 2-[(Methyldisulfanyl)methyl]furan, UNII-1V1X0TA603, Methyl 2-furylmethyl disulfide, 2-((Methyldithio)methyl)furan, 2-[(Methyldithio)methyl]furan, 2-((Methyldisulfanyl)methyl)furan, Furfuryl methyl disulphide, 2-Furfuryl methyl disulfide, 1V1X0TA603, (2-Furanylmethyl) methyl disulfide, Furan, 2-((methyldithio)methyl)-, 2-furylmethyl methyl disulfide, 2-[(methyldithio)methyl]-furan, 2-((Methyldithio)methyl)-Furan, Methylfurfuryldisulfide, FEMA No. 3362, EINECS 260-773-7, Furfurylmethyldisulfid, Furfurylmethyl persulfide, AC1L1WJM, ACMC-1B1XP, 2-Furfurylmethyl-disulphide, 2-Furfuryl methyl disulphide, KSC491K7J, SCHEMBL145300, 2-(methyldisulfanylmethyl)furan, DTXSID9069186, CTK3J1574, FEMA 3362, CLSLQQCDHOZMDT-UHFFFAOYSA-N, Furan,2-[(methyldithio)methyl]-, ZINC1850325, 2-[(Methyldisulfanyl)methyl]furan #, ANW-32736, MFCD00012326, SBB057326, AKOS015899706, FCH1115471, MCULE-1102467891, TRA0040522, KS-000010S7, Methyl furfuryl disulfide, >=95%, FG, 2-(Methyldithiomethyl)furan, 9CI, 8CI, AN-39900, CJ-07214, CJ-30459, M665, AB1005971, DB-003721, RT-000943, F0561, ST50997653, 500M002, A831471, C-24506, I14-1149, I14-6242, Furfural Methyl Disulfide, Methyl furfuryl disulphide, C6H8OS2, C6-H8-O-S2, CID62131, Methyl furfuryl disulfide, 98% - 5G 5g,

Complexity	77.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.002g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.249g/mol
Monoisotopic Mass	160.002g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H227-H315-H319
Packing Group	Ⅲ
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
UN Code	UN 3334

Certificate of Analysis

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