chempirical

S-Carboxyethylisothiuronium chloride

C3H7ClN2O2SCAS 5425-78-5170.61 g/mol

Open in Covalent MOL file
OHOSNHNH2HCl
Carboxylic acidSulfide

Properties

Molecular formula
C3H7ClN2O2S
Molar mass
170.61 g/mol
Exact mass
169.9917 Da
logP
0.12Crippen estimate
Polar surface area
87.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5425-78-5
SMILES
C(C(=O)O)SC(=N)N.Cl
InChIKey
DZLYRGFLNXMMIT-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2O2S.ClH/c4-3(5)8-1-2(6)7;/h1H2,(H3,4,5)(H,6,7);1H

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Names and synonyms

1 names
  • 2-(Carbamimidoylthio)acetic acid hydrochloride

Work with S-Carboxyethylisothiuronium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-[(Aminoiminomethyl)thio]propanoic acid5398-29-859 % similar 2,2′-[Carbonothioylbis(thio)]bis[acetic acid]6326-83-644 % similar (Methylthio)acetic acid2444-37-342 % similar Aminoacetic acid hydrochloride6000-43-742 % similar Thiodiglycolic acid123-93-341 % similar 1,1′-Dithiodiformamidine hydrochloride14807-75-141 % similar Dithiodiglycolic acid505-73-741 % similar Creatine hcl17050-09-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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