Home Amines 100130-32-3
100130-32-3,MFCD01694605
Catalog No.:AA0000YM
100130-32-3 | Carbamimidothioic acid, 2-[(aminoiminomethyl)amino]ethyl ester, dihydrobromide (9CI)
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Technical Information
Catalog Number:
AA0000YM
Chemical Name:
Carbamimidothioic acid, 2-[(aminoiminomethyl)amino]ethyl ester, dihydrobromide (9CI)
CAS Number:
100130-32-3
Molecular Formula:
C4H13Br2N5S
Molecular Weight:
323.0525
MDL Number:
MFCD01694605
IUPAC Name:
2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide
InChI:
InChI=1S/C4H11N5S.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,7,8)(H4,5,6,9);2*1H
InChI Key:
GPWJSTKHQMIXCA-UHFFFAOYSA-N
SMILES:
NN=CNCCSC(=N)N.Br.Br
Properties
Computed Properties
 
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
323.051g/mol
Monoisotopic Mass:
320.926g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
VUF 8430 dihydrobromide 
100130-32-3 
Carbamimidothioic acid,2-[(aminoiminomethyl)amino]ethyl ester, dihydrobromide (9CI) 
ACMC-20m37r 
AC1MI59D 
CTK3J8572 
CTK8G3777 
DTXSID60142970 
MFCD01694605 
AKOS016353306 
LS-126151 
B7077 
98021-17-1 
VUF 8430 dihydrobromide, >=97% (NMR) 
2-(diaminomethylideneamino)ethyl carbamimidothioate dihydrobromide 
C4H11N5S.2BrH 
S-(2-guanidylethyl)isothiourea 
VUF8430 
C4-H11-N5-S.2Br-H 
VUF 8430 
VUF-8430 
CID3063227 
2-[ AMINO]ETHYLCARBAMIMIDOTHIOICACIDESTERDIHYDROBROMIDE 
Pseudourea, 2-(2-guanidinoethyl)-2-thio-, dihydrobromide 
S-(2-guanidylethyl)-isothiourea 
S,2-Guanidinoethylisothiuronium bromide hydrobromide 
Carbamimidothioic acid, 2-((aminoiminomethyl)amino)ethyl ester, dihydrobromide 
2-(2-Guanidinoethyl)-2-thiopseudourea dihydrobromide 
2-[(Aminoiminomethyl)amino]ethyl carbamimidothioic acid ester 
2-[(Aminoiminomethyl)amino]ethyl carbamimidothioic acid ester dihydrobromide 
Literature
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