AG0013VN

13781-53-8 | 3-Thiopheneacetonitrile

AG0013VN

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CAS Number	13781-53-8
Catalog Number	AG0013VN(AGN-PC-0JLUQC)
Chemical Name	3-Thiopheneacetonitrile
EC Number	237-433-1
IUPAC Name	2-thiophen-3-ylacetonitrile
InChI	InChI=1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2
InChI Key	GWZCLMWEJWPFFA-UHFFFAOYSA-N
MDL Number	MFCD00005471
Molecular Formula	C6H5NS
Molecular Weight	123.1756
SMILES	N#CCC1=CSC=C1
Synonyms	3-Thiopheneacetonitrile, 13781-53-8, 2-(Thiophen-3-yl)acetonitrile, Thiophene-3-acetonitrile, 3-Thienylacetonitrile, 3-cyanomethylthiophene, thien-3-ylacetonitrile, MFCD00005471, 2-(3-thienyl)acetonitrile, GWZCLMWEJWPFFA-UHFFFAOYSA-N, 2-(3-thienyl)ethanenitrile, 3-Thiophene acetonitrile, EINECS 237-433-1, PubChem8862, thiophene-3-acetonitril, ACMC-209cew, 3-Thienylacetonitrile #, 3-(Cyanomethyl)thiophene, 2,3-thiopheneacetonitrile, thiophen-3-yl-acetonitrile, AC1Q4S1X, AC1Q4S4C, 2-thiophen-3-ylacetonitrile, SCHEMBL38504, labotest-bb lt00848266, BIDD:GT0037, 3-Thiopheneacetonitrile, 96%, THIOPHEN-3-ACETONITRILE, AC1L361O, CTK0I1289, DTXSID80160318, HMS1784K13, ZINC157111, EBD11332, ANW-20358, SBB058364, T3T796, AKOS001144602, MCULE-8329414876, PB19846, VT20258, WT82396, AC-18966, AJ-14886, AK-58785, AS-14547, BP-12656, L564, SC-46294, ZB006557, RT-003579, CS-0040874, FT-0616404, ST51016249, EN300-15001, M-3516, 3-Cyanomethylthiophene; Thiophene-3-acetonitrile, W-110353, F0001-0473, Z111875008, 2-Thienylacetonitrile, C6H5NS, C6-H5-N-S, CID83730, AR-1F5278, ZINC00157111, 3-Thiopheneacetonitrile, 98% - 1G 1g, T1193, 13908-52-6,

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
Signal Words	warning
UN Code	UN 3276

Certificate of Analysis

Lot Number