AG0012DJ

13679-74-8 | Ethanone, 1-(5-methyl-2-thienyl)-

AG0012DJ

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CAS Number	13679-74-8
Catalog Number	AG0012DJ(AGN-PC-0JLUOG)
Chemical Name	Ethanone, 1-(5-methyl-2-thienyl)-
EC Number	237-181-2
FEMA Number	4643
IUPAC Name	1-(5-methylthiophen-2-yl)ethanone
InChI	InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChI Key	YOSDTJYMDAEEAZ-UHFFFAOYSA-N
MDL Number	MFCD00014529
Molecular Formula	C7H8OS
Molecular Weight	140.2028
SMILES	C(C)(=O)C=1SC(=CC1)C
UNII	2HS3I278W9
Synonyms	2-Acetyl-5-methylthiophene, 13679-74-8, 1-(5-methylthiophen-2-yl)ethanone, Ketone, methyl 5-methyl-2-thienyl, Ethanone, 1-(5-methyl-2-thienyl)-, Methylthienylcetone, 1-(5-Methyl-2-thienyl)ethan-1-one, 2-methyl-5-acetylthiophene, 5-methyl-2-acetylthiophene, 1-(5-Methyl-2-thienyl)ethanone, Methylthienylcetone [French], 1-(5-METHYLTHIOPHEN-2-YL)ETHAN-1-ONE, UNII-2HS3I278W9, BRN 0110854, Methyl 5-methyl-2-thienyl ketone, EINECS 237-181-2, AI3-15900, Thiophene, 2-acetyl-5-methyl, YOSDTJYMDAEEAZ-UHFFFAOYSA-N, 2HS3I278W9, MFCD00014529, 1-(5-Methyl-thiophen-2-yl)-ethanone, 5-methyl-2-acetyl thiophene, PubChem5212, PubChem7299, AC1Q1JNL, AC1L35VL, SCHEMBL3351, ACMC-1C22Y, 2-acetyl-5-methyl thiophene, 5-17-09-00425 (Beilstein Handbook Reference), ketone,methyl5-methyl-2-thienyl, CTK3J1435, YOSDTJYMDAEEAZ-UHFFFAOYSA-, 1-(5-methylthien-2-yl)ethanone, DTXSID10159932, s183, 1-(5-methyl-2-thienyl)-ethanon, 2-Acetyl-5-methylthiophene, 98%, 1-(5-Methyl-2-thienyl)-Ethanone, 1-(5-methyl-2-thiophenyl)ethanone, KS-00000LS0, ZINC2146674, ANW-20179, GEO-00037, SBB066533, STK397394, AKOS000200731, AB01148, CS-W002097, MCULE-5218961667, PS-6271, RTC-010483, TRA0061992, VT20089, 1-(5-Methyl-2-thienyl)ethanone, 9CI, AJ-33593, AK-33183, BR-33183, CJ-32977, LS-87294, SC-03600, SY016983, AB0018518, DB-020332, ST2416305, TC-010483, TL8000855, 4CH-014326, A1181, FT-0610963, ST50410236, S-1414, MFCD00014529 (97+%), A807135, W-200109, InChI=1/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3, C7H8OS, -Methyl-5-acetylthiophene, C7-H8-O-S, CID83655, 2-Acetyl-5-methylthiophene, 96% - 25G 25g,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.03g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.2g/mol
Monoisotopic Mass	140.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

Lot Number