AG002JYR

20893-30-5 | 2-Thiopheneacetonitrile

AG002JYR

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CAS Number	20893-30-5
Catalog Number	AG002JYR(AGN-PC-0WQUH7)
Chemical Name	2-Thiopheneacetonitrile
EC Number	244-104-6
IUPAC Name	2-thiophen-2-ylacetonitrile
InChI	InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
InChI Key	CLSHQIDDCJTHAJ-UHFFFAOYSA-N
MDL Number	MFCD00005453
Molecular Formula	C6H5NS
Molecular Weight	123.1756
SMILES	C(C#N)c1cccs1
Synonyms	2-Thiopheneacetonitrile, 20893-30-5, 2-(Thiophen-2-yl)acetonitrile, 2-Thienylacetonitrile, Thiophene-2-acetonitrile, 2-(Cyanomethyl)thiophene, 2-cyanomethylthiophene, thiophen-2-yl-acetonitrile, Thien-2-ylacetonitrile, thiophen-2-ylacetonitrile, (Thien-2-yl)acetonitrile, MFCD00005453, C6H5NS, 2-(2-thienyl)acetonitrile, 2-thiophen-2-ylacetonitrile, CLSHQIDDCJTHAJ-UHFFFAOYSA-N, 2-(2-thienyl)ethanenitrile, 2-Thiophene-acetonitrile, PubChem5590, 2-thienyl acetonitrile, ACMC-1CNDM, AC1L2IVE, C03311, AC1Q4S4T, SCHEMBL37659, KSC204K8P, BIDD:GT0061, 2-Thiopheneacetonitrile, 97%, Jsp004290, DTXSID5066663, CHEBI:27382, CTK1A4587, ZINC388254, KS-00000O7N, STR00582, EINECS 244-104-6, ANW-24274, SBB055746, STL353611, AKOS000119357, AC-2494, CS-W007592, LS21115, MCULE-7118861488, PS-3265, RP19546, RTR-032565, TRA0041679, VT20149, AJ-20514, AK-93470, AN-13935, CJ-03171, L347, SC-02388, ZB011385, AI3-08540, DB-045423, ST2416261, TL8001729, TR-032565, FT-0638060, ST51016240, EC 244-104-6, M-7398, W-107587, F0001-0748, 2-thiophene acetonitrile, CID72880, AR-1E5589, ACN-032858, T0799, Thiophene-2-acetonitrile, 96% - 100G 100g, 21437-82-1,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	123.173g/mol
Monoisotopic Mass	123.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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