hydron;methyl N'-aminocarbamimidothioate;iodide

C2H8IN3S — CID 90229300

IUPAChydron;methyl N'-aminocarbamimidothioate;iodide
SMILESCS/C(N)=N\N.[H+].[I-]
InChIInChI=1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
InChIKeyNYMQJWVULPQXBK-UHFFFAOYSA-N
MW233.08 g/mol
LogP-3.35
Rot. Bonds

About hydron;methyl N'-aminocarbamimidothioate;iodide

hydron;methyl N'-aminocarbamimidothioate;iodide (PubChem CID 90229300) has the molecular formula C2H8IN3S and a molecular weight of 233.08 g/mol. Its IUPAC name is hydron;methyl N'-aminocarbamimidothioate;iodide.

Molecular Properties

Compound Namehydron;methyl N'-aminocarbamimidothioate;iodide
PubChem CID90229300
Molecular FormulaC2H8IN3S
Molecular Weight233.08 g/mol
Exact Mass232.95
IUPAC Namehydron;methyl N'-aminocarbamimidothioate;iodide
SMILESCS/C(N)=N\N.[H+].[I-]
InChIInChI=1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
InChIKeyNYMQJWVULPQXBK-UHFFFAOYSA-N
XLogP-3.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 5-3.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;methyl N'-aminocarbamimidothioate;iodide?
The IUPAC name of hydron;methyl N'-aminocarbamimidothioate;iodide (CID 90229300) is hydron;methyl N'-aminocarbamimidothioate;iodide.
What is the SMILES notation for hydron;methyl N'-aminocarbamimidothioate;iodide?
The canonical SMILES for hydron;methyl N'-aminocarbamimidothioate;iodide is CS/C(N)=N\N.[H+].[I-].
What is the InChIKey of hydron;methyl N'-aminocarbamimidothioate;iodide?
The InChIKey is NYMQJWVULPQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H.
What are the key properties of hydron;methyl N'-aminocarbamimidothioate;iodide?
hydron;methyl N'-aminocarbamimidothioate;iodide has a molecular weight of 233.08 g/mol, XLogP of -3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methyl N'-aminocarbamimidothioate;iodide is sourced from PubChem (CID 90229300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).