AG0037U0

4298-52-6 | 2-Ethynylthiophene

AG0037U0

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CAS Number	4298-52-6
Catalog Number	AG0037U0(AGN-PC-0WANO8)
Chemical Name	2-Ethynylthiophene
IUPAC Name	2-ethynylthiophene
InChI	InChI=1S/C6H4S/c1-2-6-4-3-5-7-6/h1,3-5H
InChI Key	LWISLHRIEATKTM-UHFFFAOYSA-N
MDL Number	MFCD03425129
Molecular Formula	C6H4S
Molecular Weight	108.1610
SMILES	C#CC1=CC=CS1
Synonyms	2-Ethynylthiophene, 4298-52-6, 2-ethynyl-thiophene, 2-thienylethine, 2-thiophenylacetylene, (2-Thienyl)acetylene, PubChem16123, (Thien-2-yl)acetylene, Thiophene, 2-ethynyl-, AC1NRRS5, (thiophen-2-yl)acetylene, 2-ethynylthiophene, 90%, ACMC-209js9, KSC235M5F, SCHEMBL168703, 2-ethynylthiophene, AldrichCPR, CTK1D5652, DTXSID40412961, LWISLHRIEATKTM-UHFFFAOYSA-N, ACT09722, KS-00000V3Q, ZINC2576039, ANW-29911, MFCD03425129, RW1951, SBB008821, AKOS010651593, CS-W011286, PS-9283, RP00466, RTX-010165, TRA0017033, AJ-42464, AK-49795, FS001813, SY021631, AB0006483, DB-002450, 4CH-021651, E0915, FT-0645320, ST24040566, MFCD03425129 (95%), B-3421, 298E526, A826100, I09-0628, J-509349, 2-Ethynylthiophene, 95% - 1G 1g, CID5246258, Thiophene, 2-ethynyl- (6CI, 7CI, 8CI, 9CI),

Complexity	98
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.003g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	108.158g/mol
Monoisotopic Mass	108.003g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^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-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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