AG00FGYL

72965-16-3 | Ethyl 2-amino-4-isopropylthiophene-3-carboxylate

AG00FGYL

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CAS Number	72965-16-3
Catalog Number	AG00FGYL(AGN-PC-0KKL2O)
Chemical Name	Ethyl 2-amino-4-isopropylthiophene-3-carboxylate
IUPAC Name	ethyl 2-amino-4-propan-2-ylthiophene-3-carboxylate
InChI	InChI=1S/C10H15NO2S/c1-4-13-10(12)8-7(6(2)3)5-14-9(8)11/h5-6H,4,11H2,1-3H3
InChI Key	YJQXDJCAPDKLGP-UHFFFAOYSA-N
MDL Number	MFCD00816867
Molecular Formula	C10H15NO2S
Molecular Weight	213.2966
SMILES	O=C(C1=C(N)SC=C1C(C)C)OCC
Synonyms	ETHYL 2-AMINO-4-ISOPROPYLTHIOPHENE-3-CARBOXYLATE, 72965-16-3, ethyl 2-amino-4-(propan-2-yl)thiophene-3-carboxylate, 2-Amino-4-isopropyl-thiophene-3-carboxylic acid ethyl ester, AC1MBTMH, Maybridge1_000357, Oprea1_169256, SCHEMBL688952, CTK6F5427, HMS542I05, KS-00000PQR, ZINC66308, YJQXDJCAPDKLGP-UHFFFAOYSA-N, KM1529, MFCD00816867, SBB094829, AKOS009251580, MCULE-6659741311, AK321104, DS-11751, ZB002551, V7515, EN300-75263, ethyl-2-amino-4-isopropylthiophene-3-carboxylate, ethyl 2-amino-4-propan-2-ylthiophene-3-carboxylate, ethyl 2-amino-4-(methylethyl)thiophene-3-carboxylate, Z1267773794, 2-amino-4-isopropylthiophene-3-carboxylic acid ethyl ester, C10H15NO2S, ZINC00066308, ACN-043574, CID2756460,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.295g/mol
Monoisotopic Mass	213.082g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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