AG003Q3D

76981-71-0 | Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

AG003Q3D

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CAS Number	76981-71-0
Catalog Number	AG003Q3D(AGN-PC-0JV4US)
Chemical Name	Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
IUPAC Name	ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI	InChI=1S/C12H17NO2S/c1-3-15-12(14)10-8-5-4-7(2)6-9(8)16-11(10)13/h7H,3-6,13H2,1-2H3
InChI Key	WSOISFMHBFFWRQ-UHFFFAOYSA-N
MDL Number	MFCD00638882
Molecular Formula	C12H17NO2S
Molecular Weight	239.3339
SMILES	O=C(C1=C(N)SC2=C1CCC(C)C2)OCC
Synonyms	76981-71-0, ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-Amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester, BRN 4183342, MFCD00638882, Ethyl 4,5,6,7-tetrahydro-2-amino-6-methylbenzo(b)thiophene-3-carboxylate, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-6-methyl-, ethyl ester, 2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester, AC1MDFRT, Oprea1_006724, Oprea1_279499, JSPY-st000125, JSPY-st000225, MLS000109290, AC1Q336K, SCHEMBL2949670, CHEMBL1491841, CTK5E3667, KS-00000MTW, WSOISFMHBFFWRQ-UHFFFAOYSA-N, HMS2300M03, ALBB-001562, ANW-45172, BBL007659, SBB000786, STK073463, TD8054, AKOS000266407, AKOS016040112, CCG-237831, MCULE-9385699486, RP28375, TRA0036409, 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLICACIDETHYLESTER, AC-28071, BAS 03323203, LS-41154, SMR000105235, ST015631, AB0026648, DB-028959, ST2419310, TR-024633, BB 0218653, EU-0017255, FT-0678499, W8361, EN300-02822, W-7439, SR-01000508083, I09-2037, J-508003, SR-01000508083-1, Z56828970, F0903-1725, A0279/0012652, ethyl 2-amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxylate, 2-Amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxylic acid ethyl ester, Benzo[b]thiophene-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-6-methyl-, ethyl ester, ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate, C12H17NO2S, C12-H17-N-O2-S, ACN-051822, CID2788860, 2-Amino-6-methyl-4,5,6,7-tetrahydro-benzothiophene-3-carboxylic acid ethyl ester, 97% - 1G 1g,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.098g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.333g/mol
Monoisotopic Mass	239.098g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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