5-(Aminomethyl)-2,3-dihydro-1λ6-benzothiophene-1,1-dione Hydrochloride - CAS 1384429-07-5

Catalog:	BB061492
Product Name:	5-(Aminomethyl)-2,3-dihydro-1λ6-benzothiophene-1,1-dione Hydrochloride
CAS:	1384429-07-5
Synonyms:	5-(aminomethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione hydrochloride; (1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methanamine; hydrochloride; 5-(aminomethyl)-2,3-dihydro-1$l^{6}-benzothiophene-1,1-dione hydrochloride; 5-(Aminomethyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide hydrochloride

Technical Data

IUPAC Name:	(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methanaminehydrochloride
Molecular Weight:	233.71
Molecular Formula:	C9H11NO2S·HCl
Canonical SMILES:	C1CS(=O)(=O)C2=C1C=C(C=C2)CN.Cl
InChI:	InChI=1S/C9H11NO2S.ClH/c10-6-7-1-2-9-8(5-7)3-4-13(9,11)12/h1-2,5H,3-4,6,10H21H
InChI Key:	IIVRFKLIIDOYBJ-UHFFFAOYSA-N
References:	Bakonyi, J., et al. U.S. Pat. Appl. Publ. (2015), US 20150291607 A1 20151015.

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.0277275
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.0277275
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0