AG002GTQ

1883-78-9 | Furan, 2-[[(1-methylethyl)thio]methyl]-

AG002GTQ

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CAS Number	1883-78-9
Catalog Number	AG002GTQ(AGN-PC-0JL4DG)
Chemical Name	Furan, 2-[[(1-methylethyl)thio]methyl]-
FEMA Number	3161
IUPAC Name	2-(propan-2-ylsulfanylmethyl)furan
InChI	InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
InChI Key	WCHRNAKORAINOJ-UHFFFAOYSA-N
MDL Number	MFCD00040265
Molecular Formula	C8H12OS
Molecular Weight	156.2453
SMILES	CC(SCC1=CC=CO1)C
UNII	5OTT266RL5
Synonyms	FURFURYL ISOPROPYL SULFIDE, 1883-78-9, 2-((Isopropylthio)methyl)furan, Isopropyl furfuryl sulfide, Furfurylisopropylsulfide, UNII-5OTT266RL5, FEMA No. 3161, Furan, 2-[[(1-methylethyl)thio]methyl]-, 2-(propan-2-ylsulfanylmethyl)furan, Furan, 2-((isopropylthio)methyl)-, Furan, 2-[(isopropylthio)methyl]-, 2-(((1-Methylethyl)thio)methyl)furan, 2-(Isopropylthiomethyl)furan, Furan, 2-(((1-methylethyl)thio)methyl)-, 5OTT266RL5, 2-[(Isopropylthio)methyl]furan, MFCD00040265, 2-[[(1-Methylethyl)thio]methyl]furan, C8H12OS, Isopropylfurfuryl sulfide, ACMC-209er8, AC1L1UX0, DSSTox_CID_27665, DSSTox_RID_82487, DSSTox_GSID_47665, 2-furyl(methylethylthio)methane, 2-Furylmethyl isopropyl sulfide, SCHEMBL1532559, Jsp003865, 2-(isopropylsulfanylmethyl)furan, CHEMBL3182667, DTXSID5047665, CTK4D9780, FEMA 3161, WCHRNAKORAINOJ-UHFFFAOYSA-N, 2-Furylmethyl isopropyl sulfide #, ZINC1850892, Furfuryl isopropyl sulfide, >=98%, Tox21_303491, ANW-23394, 2-[(propan-2-ylsulfanyl)methyl]furan, AKOS015897432, MCULE-4070824510, TRA0089644, NCGC00257404-01, AJ-32072, AN-22204, CJ-30546, Furan,2-[[(1-methylethyl)thio]methyl]-, M510, CAS-1883-78-9, DB-003670, LS-179087, TC-020292, F0742, FT-0626577, ST24027416, ST50824591, 2-[[(1-Methylethyl)thio]methyl]furan, 9CI, 883F789, I09-0190, C8-H12-O-S, CID61282, Furfuryl isopropyl sulfide, 98% - 25G 25g,

Complexity	93.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.061g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.243g/mol
Monoisotopic Mass	156.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319
Packing Group
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
UN Code	\N

Certificate of Analysis

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