Methanethiol, N-(3-methoxypropyl)amidino-, hydrogen thiosulfate, hydrate structure

Methanethiol, N-(3-methoxypropyl)amidino-, hydrogen thiosulfate, hydrate

1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methoxypropane

Also Known As: S-((N-(3-Methoxypropyl)amidino)methyl) hydrogen thiosulfate hydrate|Methanethiol, N-(3-methoxypropyl)amidino-, hydrogen thiosulfate, hydrate|1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methoxypropane|s-{(2z)-2-amino-2-[(3-methoxypropyl)imino]ethyl} hydrogen sulfurothioate|S-{2-Imino-2-[(3-methoxypropyl)amino]ethyl} hydrogen sulfurothioate

CAS: 5327-33-3
Molecular Formula C6H14N2O4S2
Molecular Weight 242.0395 g/mol
LogP -1.2
Topological Polar Surface Area 136.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 242.0395
Monoisotopic Mass 242.0395
Heavy Atoms 14
Complexity 270.0

Chemical Identifiers

CAS Number 5327-33-3
SMILES COCCCN=C(CSS(=O)(=O)O)N
InChIKey XMIVRYNNGALYOJ-UHFFFAOYSA-N

Product Overview

Methanethiol, N-(3-methoxypropyl)amidino-, hydrogen thiosulfate, hydrate (CAS 5327-33-3), with molecular formula C6H14N2O4S2 and molecular weight 242.0395 g/mol. IUPAC: 1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methoxypropane.

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