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N'-hydroxy-3-(methanesulfonamido)propanimidamide

HCID 73994016
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CS(=O)(=O)NCCC(N)=NO
InChIKey
WXVLQYIBCHOMFT-UHFFFAOYSA-N
Molecular formula
C4H11N3O3S
Average molar mass
181.22 g/mol
Monoisotopic mass
181.05211239

Names & identifiers

Preferred name
N'-hydroxy-3-(methanesulfonamido)propanimidamide
IUPAC
N'-hydroxy-3-(methanesulfonamido)propanimidamide

Names & synonyms

SCHEMBL5411998SCHEMBL5412004AKOS017479459

Database identifiers

PubChem CID
73994016

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
113 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11
Formal charge
0
Complexity
227

Related reactions

1 records
New reaction record
HRID 319145 reaction equation
HRID 319145As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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