2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide

CAS

91784-03-1

Catalog Number

ACM91784031

Category

Other Products

Molecular Weight

430.18

Molecular Formula

C₆H₁₈Br₂N₆O₂S₂

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

2-GUANIDINOETHYL 2-GUANIDINOETHANETHIOSULFONATE, DIHYDROBROMIDE

IUPAC Name

2-[2-[2-(diaminomethylideneamino)ethylsulfanylsulfonyl]ethyl]guanidine

Canonical SMILES

C(CSS(=O)(=O)CCN=C(N)N)N=C(N)N

InChI Key

JVBWIEKHVIHABZ-UHFFFAOYSA-N

Melting Point

160-162ºC

Appearance

Off-White Solid

Exact Mass

427.93000

H-Bond Acceptor

H-Bond Donor

Stability

Moisture Sensitve

What is the molecular formula of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The molecular formula is C6H18Br2N6O2S2.

What is the molecular weight of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The molecular weight is 430.2 g/mol.

What is the IUPAC name of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The IUPAC name is 2-[2-[2-(diaminomethylideneamino)ethylsulfanylsulfonyl]ethyl]guanidine;dihydrobromide.

What is the InChI of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The InChI is InChI=1S/C6H16N6O2S2.2BrH/c7-5(8)11-1-3-15-16(13,14)4-2-12-6(9)10;;/h1-4H2,(H4,7,8,11)(H4,9,10,12);2*1H.

What is the InChIKey of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The InChIKey is GVRKJKAIRNTQQX-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The Canonical SMILES is C(CSS(=O)(=O)CCN=C(N)N)N=C(N)N.Br.Br.

What is the hydrogen bond donor count of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The hydrogen bond donor count is 6.

What is the hydrogen bond acceptor count of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The hydrogen bond acceptor count is 5.

What is the topological polar surface area of 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide?

The topological polar surface area is 197 ?2.

Is 2-Guanidinoethyl 2-guanidinoethanethiosulfonate dihydrobromide a canonicalized compound?

Yes, it is a canonicalized compound.