2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one Hydrobromide - CAS 109317-52-4

Catalog:	BB075003
Product Name:	2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one Hydrobromide
CAS:	109317-52-4
Synonyms:	2-Amino-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one hydrobromide; 2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one HBr; 2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one; hydrobromide; 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one hydrobromide; 2-amino-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one hydrobromide

Technical Data

IUPAC Name:	2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-onehydrobromide
Molecular Weight:	196.27+(80.91)
Molecular Formula:	C9H12N2OS·HBr
Canonical SMILES:	CC1(CC2=C(C(=O)C1)SC(=N2)N)C.Br
InChI:	InChI=1S/C9H12N2OS.BrH/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3,(H2,10,11)1H
InChI Key:	LSQZUGSGHMULRH-UHFFFAOYSA-N

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.9932
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	275.9932
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0