AG0029TJ

20503-40-6 | Benzo[b]thiophen-6-amine, 1,1-dioxide

AG0029TJ

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CAS Number	20503-40-6
Catalog Number	AG0029TJ(AGN-PC-0KKZV3)
Chemical Name	Benzo[b]thiophen-6-amine, 1,1-dioxide
IUPAC Name	1,1-dioxo-1-benzothiophen-6-amine
InChI	InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
InChI Key	KRUCRVZSHWOMHC-UHFFFAOYSA-N
MDL Number	MFCD00173800
Molecular Formula	C8H7NO2S
Molecular Weight	181.2117
SMILES	NC1=CC=C(C=CS2(=O)=O)C2=C1
Synonyms	20503-40-6, 6-Aminobenzo[b]thiophene 1,1-dioxide, 6-Amino-1h-1lambda-6-benzo[b]thiophene-1,1-dione, 6-Amino-1,1-Dioxobenzo[B]Thiophene, 1,1-dioxo-1-benzothiophen-6-amine, 1-Benzothiophen-6-Amine 1,1-Dioxide, Benzo[b]thiophen-6-amine,1,1-dioxide, 6-amino-1lambda6-benzothiophene-1,1-dione, 6-amino-1, AC1MCWHJ, PubChem14478, Maybridge1_005192, AC1Q52EB, AC1Q52EC, SCHEMBL922607, CTK4E4370, HMS556D22, KS-00000MFH, DTXSID30381576, KRUCRVZSHWOMHC-UHFFFAOYSA-N, 6-amino-benzothiophene-1,1-dione, 6-aminobenzo[b]thiole-1,1-dione, ZINC162015, 1,1-dioxobenzo[b]thiophen-6-amine, ACN-C000730, 6-Aminobenzo[b]thiophene1,1-dioxide, 6934AD, MFCD00173800, SBB089806, 1,1-Dioxido-1-benzothien-6-ylamine, 6-Aminobenzo[b]thiophene-1,1-dioxide, AKOS000281475, 1,1-dioxo-1h-benzothiophen-6-ylamine, 6-Amino-1-benzothiophene 1,1-Dioxide, MCULE-7164176049, SDCCGMLS-0066184.P001, VT20361, 6-amino-1|E6-benzothiophene-1,1-dione, Benzo[b]thiophen-6-amine, 1,1-dioxide, 6-Amino-1H-1-benzothiophene-1,1-dione, AJ-15872, AK129175, BS-13682, SC-62556, ZB007775, 6-amino-1lambda-benzothiophene-1,1-dione, 6-amino-1$l^{6}-benzothiophene-1,1-dione, FT-0620901, ST24045106, EN300-43855, 1,1-bis(oxidanylidene)-1-benzothiophen-6-amine, 6-Amino-1H-1l-6-benzo[b]thiophene-1,1-dione, A814612, 1,1-dioxo-1h-1lambda6-benzo[b]thiophen-6-ylamine, 1,1-dioxo-1H-1lambda6-benzo[b]-thiophen-6-ylamine, I14-13801, Z449369132, 6-AMINO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE, 6-amino-1H-1lambda6-benzo[b]thiophene-1,1-dione, AldrichCPR, C8H7NO2S, ZINC00162015, CID2779855, 6-amino-1H-1lambda~6~-benzo[b]thiophene-1,1-dione,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.209g/mol
Monoisotopic Mass	181.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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