2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid

C8H14N4O4S — CID 57347740

IUPAC2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)cc1.NN=C(N)NO
InChIInChI=1S/C7H8O3S.CH6N4O/c1-6-2-4-7(5-3-6)11(8,9)10;2-1(4-3)5-6/h2-5H,1H3,(H,8,9,10);6H,3H2,(H3,2,4,5)
InChIKeyFXYWKTIILSNZDA-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.60
Rot. Bonds1

About 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid

2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid (PubChem CID 57347740) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid.

Molecular Properties

Compound Name2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid
PubChem CID57347740
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)cc1.NN=C(N)NO
InChIInChI=1S/C7H8O3S.CH6N4O/c1-6-2-4-7(5-3-6)11(8,9)10;2-1(4-3)5-6/h2-5H,1H3,(H,8,9,10);6H,3H2,(H3,2,4,5)
InChIKeyFXYWKTIILSNZDA-UHFFFAOYSA-N
XLogP-0.60
TPSA151.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzenesulfonic acid
CID 157221593
carbamic acid;4-methylbenzenesulfonic acid
CID 172730422
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
CID 6371597
CID 6371597
1-hydroxy-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
CID 139982830
2-[(2-fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 85078649
2-[(E)-(3,4-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982832
2-[(E)-(4-cyanophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 54611166
2-[(E)-(3-bromophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10113438
(125I)iodomethane;4-methylbenzenesulfonic acid
CID 158752448
benzene;4-methylbenzenesulfonic acid
CID 22637252

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid?
The IUPAC name of 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid (CID 57347740) is 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid.
What is the SMILES notation for 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid?
The canonical SMILES for 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid is Cc1ccc(S(=O)(=O)O)cc1.NN=C(N)NO.
What is the InChIKey of 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid?
The InChIKey is FXYWKTIILSNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.CH6N4O/c1-6-2-4-7(5-3-6)11(8,9)10;2-1(4-3)5-6/h2-5H,1H3,(H,8,9,10);6H,3H2,(H3,2,4,5).
What are the key properties of 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid?
2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid has a molecular weight of 262.29 g/mol, XLogP of -0.60, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxyguanidine;4-methylbenzenesulfonic acid is sourced from PubChem (CID 57347740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).