AG001ECM

1468-83-3 | Ethanone, 1-(3-thienyl)-

AG001ECM

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CAS Number	1468-83-3
Catalog Number	AG001ECM(AGN-PC-0JKC3S)
Chemical Name	Ethanone, 1-(3-thienyl)-
EC Number	215-996-4
IUPAC Name	1-thiophen-3-ylethanone
InChI	InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
InChI Key	RNIDWJDZNNVFDY-UHFFFAOYSA-N
MDL Number	MFCD00005468
Molecular Formula	C6H6OS
Molecular Weight	126.1762
SMILES	C(C)(=O)C1=CSC=C1
Synonyms	1-(thiophen-3-yl)ethanone, 3-ACETYLTHIOPHENE, 1468-83-3, 1-(thiophen-3-yl)ethan-1-one, 1-(thiophen-3-yl)ethanone, Methyl 3-thienyl ketone, Ethanone, 1-(3-thienyl)-, 1-(3-Thienyl)ethanone, Ketone, methyl 3-thienyl, Methyl-3-thienyl ketone, 1-thien-3-ylethanone, 1-thiophen-3-ylethanone, MFCD00005468, 3-Acetylthiophene, 98%, RNIDWJDZNNVFDY-UHFFFAOYSA-N, 3-Acetyl thiophene, 3-Acetothienone, 3-Acetylthiopene, 3-acetyl-thiophene, EINECS 215-996-4, PubChem5220, ACMC-1BRE2, 1-(3-Thienyl)-Ethanone, 1-(3-Thienyl)ethanone #, SCHEMBL10425, KSC179O4H, BIDD:GT0041, 1-(3-Thienyl)ethanone, 9CI, 1-(Thien-3-yl)ethan-1-one, AC1Q1K01, 1-Oxo-1-(thien-3-yl)ethane, Jsp002717, CTK0H9743, RNIDWJDZNNVFDY-UHFFFAOYSA-, DTXSID10163498, ZINC334460, AC1L2572, ALBB-005994, KS-000003VO, ANW-21036, BBL013270, CA-642, GEO-00043, SBB048022, STK503657, AKOS005171624, AC-4928, AM84424, CS-W007361, LS20391, MCULE-3092440506, PB17033, PS-5487, RP19710, RTC-060264, TRA-0202634, AJ-19671, AK-44537, AN-11471, BR-44537, CJ-02897, L469, SC-01179, ZB010743, AB0014721, AB1002763, DB-022174, ST2417437, TC-060264, TL8006177, 4CH-013285, FT-0614860, ST50946587, EN300-60615, B-2991, 468A833, AI-942/40192066, I09-0097, Q-200397, W-108121, F0001-0524, Z1245633913, InChI=1/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3, 3-tert-Butylphenol, C6H6OS, C6-H6-O-S, CID15116, 3-Acetylthiophene, 98% - 1G 1g, A1006, C2590,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.173g/mol
Monoisotopic Mass	126.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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