AG008RZ4

108354-78-5 | 2-amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-CARBOXYLIC ACID METHYL ESTER

AG008RZ4

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CAS Number	108354-78-5
Catalog Number	AG008RZ4(AGN-PC-0OYDPV)
Chemical Name	2-amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI	InChI=1S/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
InChI Key	DKYYKIHEIOOWRB-UHFFFAOYSA-N
MDL Number	MFCD00130099
Molecular Formula	C10H13NO2S
Molecular Weight	211.2807
SMILES	O=C(C1=C(N)SC2=C1CCCC2)OC
Synonyms	108354-78-5, methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester, MFCD00130099, 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid methyl ester, BAS 00381424, AC1MBTU6, CBMicro_029799, AC1Q42JE, AC1Q42JF, Oprea1_515014, Oprea1_612476, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-, ARONIS017606, SCHEMBL2179728, CHEMBL1632051, KS-00000FXQ, DTXSID10373419, DKYYKIHEIOOWRB-UHFFFAOYSA-N, HMS1648K22, ALBB-001595, KS-000049ZH, ZINC3882867, BBL005237, HTS001330, SBB004658, STK039450, AKOS000111620, FS-1352, MCULE-7580737965, RP26627, RTR-001946, AJ-46721, AK135385, BC672064, SC-67989, ST078269, BIM-0029921.P001, AB0028127, DB-020405, DB-028942, TR-001946, BB 0242384, CS-0042661, EU-0099890, FT-0678120, ST24047669, X0157, EN300-05522, W-6525, A801863, AK-968/37166331, SR-01000397768, SR-01000397768-1, I01-15773, Z56904670, F1443-4670, methyl 2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester, methyl 2-amino-4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-amino-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen e-3-carboxylic acid methyl ester, 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester, AldrichCPR, C10H13NO2S, C11H15NO2S, ACN-043732, CID2756552, 4506-71-2, 2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CAR, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylicacidmethylester, BENZO[B]THIOPHENE-3-CARBOXYLICACID, 2-AMINO-4,5,6,7-TETRAHYDRO-, METHYL ESTER,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.067g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.279g/mol
Monoisotopic Mass	211.067g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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