AG003IT4

2530-10-1 | 3-Acetyl-2,5-dimethylthiophene

AG003IT4

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CAS Number	2530-10-1
Catalog Number	AG003IT4(AGN-PC-0JS9BU)
Chemical Name	3-Acetyl-2,5-dimethylthiophene
EC Number	219-779-5
IUPAC Name	1-(2,5-dimethylthiophen-3-yl)ethanone
InChI	InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChI Key	PUSJAEJRDNPYKM-UHFFFAOYSA-N
MDL Number	MFCD00009763
Molecular Formula	C8H10OS
Molecular Weight	154.2294
SMILES	C1=C(SC(=C1C(C)=O)C)C
UNII	VDV865T91P
Synonyms	3-Acetyl-2,5-dimethylthiophene, 2530-10-1, 1-(2,5-dimethylthiophen-3-yl)ethanone, Ethanone, 1-(2,5-dimethyl-3-thienyl)-, 2,5-Dimethyl-3-thienyl methyl ketone, Dimethylthienylcetone, 2,5-Dimethyl-3-acetylthiophene, 1-(2,5-Dimethyl-3-thienyl)ethanone, Ketone, 2,5-dimethyl-3-thienyl methyl, 3-Acetyl-2,5-dimethyl thiophene, BRN 0112095, UNII-VDV865T91P, 2,5-Dimethylthiophen-3-yl methyl ketone, Dimethylthienylcetone [French], FEMA No. 3527, VDV865T91P, 1-(2,5-dimethylthiophen-3-yl)ethan-1-one, PUSJAEJRDNPYKM-UHFFFAOYSA-N, EINECS 219-779-5, AC1LATVT, ACMC-20agy5, AC1Q1JEN, BIDD:GT0071, SCHEMBL248005, 2,5-Dimethyl-3Acetylthiophene, CTK3J1434, FEMA 3527, DTXSID40179946, 2.5-Dimethyl-3-acetyl thiophene, ZINC1081105, ANW-72891, BBL027765, SBB067095, STK400196, AKOS000120606, CA-1071, MCULE-5911598699, RTR-011568, TRA0019721, VZ22804, 1-(2,5-Dimethyl-3-thienyl)-Ethanone, 1-(2,5-dimethyl-3-thiophenyl)ethanone, 3-Acetyl-2,5-dimethylthiophene, 99%, 1-(2,5-Dimethyl-3-thienyl)ethanone #, AJ-24889, AK-45167, AN-21688, AS-14520, BR-45167, CJ-04721, L467, LS-87192, SY020864, ZB015864, 3-Acetyl-2,5-dimethylthiophene, >=99%, 1-(2,5-Dimethyl-thiophen-3-yl)-ethanone, DB-020116, ST2408511, TR-011568, 1-(2,5-Dimethyl-3-thienyl)ethanone, 9CI, 2,5-Dimethyl-3-thienyl methyl ketone, 8CI, FT-0082157, ST50307019, MFCD00009763 (98%), M-4622, 5-17-09-00444 (Beilstein Handbook Reference), 530A101, A817771, I09-1884, I14-1128, Q-100432, W-107249, Z90122410, Not Available, C8H10OS, 3-Acetyl-2,5-dichlorothiophene, CID520191, MFCD00009763, 3-Acetyl-2,5-dimethylthiophene, 99% - 1G 1g,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.045g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.227g/mol
Monoisotopic Mass	154.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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 3334

Certificate of Analysis

Lot Number