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hydrazinecarboximidamide, n-hydroxy-2-((3-iodophenyl)methylene)-, mono(4-methylbenzenesulfonate) (salt)

HCID 9588656
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Basic information

CAS
85894-20-8
Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.N/C(=N\N=C\c1cccc(I)c1)NO
InChIKey
RVJTYBOEFRSUAC-HMXKFKBXSA-N
Molecular formula
C15H17IN4O4S
Average molar mass
476.3 g/mol
Monoisotopic mass
476.00152

Names & identifiers

Preferred name
hydrazinecarboximidamide, n-hydroxy-2-((3-iodophenyl)methylene)-, mono(4-methylbenzenesulfonate) (salt)
IUPAC
1-hydroxy-2-[(E)-(3-iodophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid

Names & synonyms

NSC 355190N-Hydroxy-2-((3-iodophenyl)methylene)hydrazinecarboximidamide tosylate85894-20-8RefChem:348199hydrazinecarboximidamide, n-hydroxy-2-((3-iodophenyl)methylene)-, mono(4-methylbenzenesulfonate) (salt)Hydrazinecarboximidamide, N-hydroxy-2-((3-iodophenyl)methylene)-, mono(4- methylbenzenesulfonate) (salt)NSC355190NSC-355190

Database identifiers

CAS
85894-20-8
PubChem CID
9588656

Properties

Computed structural properties

Topological polar surface area
146 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
438

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Compound notes

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