AG0015KF

1216924-54-7 | 4,5,6,7-Tetrahydrobenzo[b]thiophen-2-amine oxalate

AG0015KF

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CAS Number	1216924-54-7
Catalog Number	AG0015KF(AGN-PC-0WAMYX)
Chemical Name	4,5,6,7-Tetrahydrobenzo[b]thiophen-2-amine oxalate
IUPAC Name	oxalic acid;4,5,6,7-tetrahydro-1-benzothiophen-2-amine
InChI	InChI=1S/C8H11NS.C2H2O4/c9-8-5-6-3-1-2-4-7(6)10-8;3-1(4)2(5)6/h5H,1-4,9H2;(H,3,4)(H,5,6)
InChI Key	NWUMOUXCUSYZQJ-UHFFFAOYSA-N
MDL Number	MFCD07357601
Molecular Formula	C10H13NO4S
Molecular Weight	243.2795
SMILES	NC1=CC(CCCC2)=C2S1.O=C(O)C(O)=O
Synonyms	4,5,6,7-Tetrahydrobenzo[b]thiophen-2-amine oxalate, 1216924-54-7, AK126754, SCHEMBL11580877, KS-00000R8Z, MFCD07357601, AKOS016013121, DS-5296, AX8248310, Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro-, ethanedioate (1:1),

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.057g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	243.277g/mol
Monoisotopic Mass	243.057g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number