AG003HMB

63012-97-5 | 2-Methyl-3-(methylthio)furan

AG003HMB

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CAS Number	63012-97-5
Catalog Number	AG003HMB(AGN-PC-0JSD0X)
Chemical Name	2-Methyl-3-(methylthio)furan
EC Number	613-135-0
FEMA Number	3949
IUPAC Name	2-methyl-3-methylsulfanylfuran
InChI	InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
InChI Key	OQVAOEIMSKZGAL-UHFFFAOYSA-N
MDL Number	MFCD03701635
Molecular Formula	C6H8OS
Molecular Weight	128.1921
SMILES	CSC1=C(C)OC=C1
UNII	M46N02LDL4
Synonyms	2-methyl-3-(methylthio)furan, 63012-97-5, 2-Methyl-3-methylthiofuran, furan, 2-methyl-3-(methylthio)-, UNII-M46N02LDL4, Methyl methylthiofuran, 2-methyl-3-(methylthio)-furan, 2-methyl-3-methylsulfanylfuran, M46N02LDL4, 2-methyl-3-methylsulfanyl-furan, 2-Methyl-3-thiomethylfuran, FEMA no. 3949, Dimethylthiofuran, PubChem9968, 2-Methyl-3-(methylthio)furan [FHFI], AC1LB1CB, ACMC-209nc7, KSC490Q3B, SCHEMBL757595, 2-Methyl-3-(methylthio) furan, CTK3J0830, FEMA 3949, 2-methyl 3-(methyl thio) furan, DTXSID50212237, 2-methyl-3-(methylsulfanyl)furan, Furan, 2-methyl-3-(methylthio), Furan,2-methyl-3-(methylthio)-, OQVAOEIMSKZGAL-UHFFFAOYSA-N, BCP11303, KS-00000N5D, ZINC2509929, ANW-34517, MFCD03701635, AKOS015897445, TRA-0178077, AK307519, AN-39048, CJ-08545, DS-11400, L301, 2-Methyl-3-methylthiofuran, >=98%, FG, AB1005970, RT-002325, FT-0612946, M1838, 012M975, A834150, I09-0083, Q-100727, InChI=1/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H, 2-Methyl-3-mercaptofuran, C6H8OS, 1-Ethylundecyl 2-fluorobenzoate, 2-Methy-3-Methylthio Furan, 2-Methyl-3-methyl thiofuran, 2-Methyl-3-Methylthio furan, CID526618, 2-Fluorobenzoic acid, 3-tridecyl ester, 2-Methyl-3-methylthiofuran, 98% - 25G 25g,

Complexity	74.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.03g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.189g/mol
Monoisotopic Mass	128.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
UN Code	UN 1993

Certificate of Analysis

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