AG003JEW

67237-53-0 | 3-Ethynylthiophene

AG003JEW

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CAS Number	67237-53-0
Catalog Number	AG003JEW(AGN-PC-0KW9Y8)
Chemical Name	3-Ethynylthiophene
IUPAC Name	3-ethynylthiophene
InChI	InChI=1S/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H
InChI Key	MJHLPKWONJUCFK-UHFFFAOYSA-N
MDL Number	MFCD04039973
Molecular Formula	C6H4S
Molecular Weight	108.1610
SMILES	C(#C)c1ccsc1
Synonyms	3-Ethynylthiophene, 67237-53-0, 3-Ethynyl thiophene, Thiophene, 3-ethynyl-, (thiophen-3-yl)acetylene, 3-Ethynylthiophene, 96%, MFCD04039973, 3-Ethynyl-thiophene, 3-Thienylacetylene, 3-ethynyl thiophene;, AC1MTCIU, PubChem16122, (Thien-3-yl)acetylene, SCHEMBL28839, KSC352M9B, CTK2F2690, DTXSID70393537, MJHLPKWONJUCFK-UHFFFAOYSA-N, ACT10036, EBD14411, ZINC2526546, ANW-35306, BBL103875, KM1076, RW1952, STL557685, AKOS010651616, AC-7562, AN-8910, RL04557, RTR-022614, TRA0022979, AJ-37621, AK-46099, AS-40389, SC-20947, AB1006773, DB-002511, ST2405056, TR-022614, 4CH-018204, E0892, FT-0645319, 237E530, A835677, I09-0629, J-512448, null, 3-Butenoic acid, Thiophene, 3-ethynyl- (9CI), 3-Ethynylthiophene, 97% - 1G 1g, CID3548422,

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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H319-H226-H315-H318-H335
Precuationary statements	P261-P280-P305+P351+P338-P303+P361+P353-P405-P501a-P210-P233-P240-P241+P242+P243-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Siginal words

Certificate of Analysis

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