methyl N'-butylcarbamimidothioate;hydroiodide

C6H15IN2S — CID 22154518

IUPACmethyl N'-butylcarbamimidothioate;hydroiodide
SMILESCCCC/N=C(/N)SC.I
InChIInChI=1S/C6H14N2S.HI/c1-3-4-5-8-6(7)9-2;/h3-5H2,1-2H3,(H2,7,8);1H
InChIKeyRUDKKVNUTJIBSH-UHFFFAOYSA-N
MW274.17 g/mol
LogP2.08
Rot. Bonds3

About methyl N'-butylcarbamimidothioate;hydroiodide

methyl N'-butylcarbamimidothioate;hydroiodide (PubChem CID 22154518) has the molecular formula C6H15IN2S and a molecular weight of 274.17 g/mol. Its IUPAC name is methyl N'-butylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-butylcarbamimidothioate;hydroiodide
PubChem CID22154518
Molecular FormulaC6H15IN2S
Molecular Weight274.17 g/mol
Exact Mass274.00
IUPAC Namemethyl N'-butylcarbamimidothioate;hydroiodide
SMILESCCCC/N=C(/N)SC.I
InChIInChI=1S/C6H14N2S.HI/c1-3-4-5-8-6(7)9-2;/h3-5H2,1-2H3,(H2,7,8);1H
InChIKeyRUDKKVNUTJIBSH-UHFFFAOYSA-N
XLogP2.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N'-butylcarbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-butylcarbamimidothioate;hydroiodide (CID 22154518) is methyl N'-butylcarbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-butylcarbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-butylcarbamimidothioate;hydroiodide is CCCC/N=C(/N)SC.I.
What is the InChIKey of methyl N'-butylcarbamimidothioate;hydroiodide?
The InChIKey is RUDKKVNUTJIBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S.HI/c1-3-4-5-8-6(7)9-2;/h3-5H2,1-2H3,(H2,7,8);1H.
What are the key properties of methyl N'-butylcarbamimidothioate;hydroiodide?
methyl N'-butylcarbamimidothioate;hydroiodide has a molecular weight of 274.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-butylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 22154518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).