Compound C17H29BrN2O2S

2-[4-(butylamino)benzoyl]oxyethyl-methyl-(2-methylsulfanylethyl)azanium bromide

CAS: 3772-41-6

Molecular Formula	`C17H29BrN2O2S`
Molecular Weight	405.4 g/mol
Topological Polar Surface Area	68.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	12
Exact Mass	404.1133
Heavy Atoms	23
Complexity	294.0

Chemical Identifiers

CAS Number	3772-41-6
SMILES	`CCCCNC1=CC=C(C=C1)C(=O)OCC[NH+](C)CCSC.[Br-]`
InChIKey	`XWSPEHAIAHXVCD-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H29BrN2O2S (CAS: 3772-41-6) is a chemical compound with molecular formula C17H29BrN2O2S and molecular weight 405.4 g/mol. Its IUPAC systematic name is 2-[4-(butylamino)benzoyl]oxyethyl-methyl-(2-methylsulfanylethyl)azanium bromide. Topological Polar Surface Area 68.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 12 Exact Mass 404.1133 Heavy Atoms 23 Complexity 294.0 InChI Key: XWSPEHAIAHXVCD-UHFFFAOYSA-N. SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCC[NH+](C)CCSC.[Br-].

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