Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) structure

Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)

2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylmethylbenzene

Also Known As: S-((N-(2-Benzylthioethyl)amidino)methyl) hydrogen thiosulfate|Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)|s-[(2z)-2-amino-2-{[2-(benzylsulfanyl)ethyl]imino}ethyl] hydrogen sulfurothioate|Thiosulfuric acid hydrogen S-[2-imino-2-[[2-[(phenylmethyl)thio]ethyl]amino]ethyl] ester|[({N-[2-(benzylsulfanyl)ethyl]carbamimidoyl}methyl)sulfanyl]sulfonic acid|2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylmethylbenzene|S-(2-{[2-(Benzylsulfanyl)ethyl]amino}-2-iminoethyl) hydrogen sulfurothioate|Thiosulfuric acid (H2S2O3), S-[2-imino-2-[[2-[(phenylmethyl)thio]ethyl]amino]ethyl] ester

CAS: 5328-52-9
Molecular Formula C11H16N2O3S3
Molecular Weight 320.03232 g/mol
LogP 0.8
Topological Polar Surface Area 152.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 320.03232
Monoisotopic Mass 320.03232
Heavy Atoms 19
Complexity 373.0

Chemical Identifiers

CAS Number 5328-52-9
SMILES C1=CC=C(C=C1)CSCCN=C(CSS(=O)(=O)O)N
InChIKey RVIZCXZRYPJRIC-UHFFFAOYSA-N

Product Overview

Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) (CAS 5328-52-9), with molecular formula C11H16N2O3S3 and molecular weight 320.03232 g/mol. IUPAC: 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylmethylbenzene.

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