AG00FAMY

7311-95-7 | Ethyl-2-Amino-Benzo(B)Thiophene-3-Carboxylate

AG00FAMY

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CAS Number	7311-95-7
Catalog Number	AG00FAMY(AGN-PC-0JV48B)
Chemical Name	Ethyl-2-Amino-Benzo(B)Thiophene-3-Carboxylate
IUPAC Name	ethyl 2-amino-1-benzothiophene-3-carboxylate
InChI	InChI=1S/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3
InChI Key	XNASJEQIJMDBQN-UHFFFAOYSA-N
MDL Number	MFCD00102506
Molecular Formula	C11H11NO2S
Molecular Weight	221.2755
SMILES	C(=O)(OCC)c1c2c(sc1N)cccc2
Synonyms	7311-95-7, ethyl 2-amino-1-benzothiophene-3-carboxylate, ethyl 2-aminobenzo[b]thiophene-3-carboxylate, 2-amino-benzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl-2-amino-benzo(b)thiophene-3-carboxylate, ethyl 2-aminobenzo(b)thiophene-3-carboxylate, 2-Aminobenzo[b]thiophene-3-carboxylic acid ethyl ester, BENZO[B]THIOPHENE-3-CARBOXYLIC ACID, 2-AMINO-, ETHYL ESTER, AC1LF8UK, AC1Q64EX, Oprea1_006777, Oprea1_140740, AC1Q336G, IFLab1_000972, SCHEMBL2307828, ZINC78114, DTXSID70351399, XNASJEQIJMDBQN-UHFFFAOYSA-N, HMS1414M04, KUC107341N, ALBB-016230, KS-000004WS, MFCD00102506, RW2790, SBB019650, STK283013, 2-amino-3-carbethoxybenzo[b]thiophene, AKOS000304300, KSC-20-007, MCULE-5373638166, PB24604, QC-2150, AJ-10433, BS-14025, ethyl 2-aminobenzothiophene-3-carboxylate, SC-49409, ZB002776, AB0095226, DB-074665, ethyl 2-aminobenzo[b]thiophene-3-carboxlate, TR-023787, CS-0049511, ethyl 2-aninobenzo[b]thiophene-3-carboxylate, FT-0686489, ST45152327, EN300-36399, ethyl-2-amino-benzo(b)thiopene-3-carboxylate, C-8551, SR-01000196773, SR-01000196773-1, 2-aminobenzo[b]thiophene-3-carboxylic acidethyl ester, I14-14821, 2-Amino-1-benzothiophene-3-carboxylic acid ethyl ester, F0239-0565, AR-1I8268, CID699464, ZINC00078114, Ethyl2-aminobenzo[b]thiophene-3-carboxylate, ETHYL-2-AMINO-BENZO THIOPHENE-3-CARBOXYLATE, 2-Amino-Benzo[B]Thiophene-3-CarboxylicAcidEthylEster, 73834-77-2,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.274g/mol
Monoisotopic Mass	221.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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