methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide

C8H12IN3S — CID 67531701

IUPACmethyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\c1ccc(C)cn1.I
InChIInChI=1S/C8H11N3S.HI/c1-6-3-4-7(10-5-6)11-8(9)12-2;/h3-5H,1-2H3,(H2,9,10,11);1H
InChIKeyWOEAJIYXAPNHIM-UHFFFAOYSA-N
MW309.18 g/mol
LogP2.32
Rot. Bonds1

About methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide

methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide (PubChem CID 67531701) has the molecular formula C8H12IN3S and a molecular weight of 309.18 g/mol. Its IUPAC name is methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide
PubChem CID67531701
Molecular FormulaC8H12IN3S
Molecular Weight309.18 g/mol
Exact Mass308.98
IUPAC Namemethyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\c1ccc(C)cn1.I
InChIInChI=1S/C8H11N3S.HI/c1-6-3-4-7(10-5-6)11-8(9)12-2;/h3-5H,1-2H3,(H2,9,10,11);1H
InChIKeyWOEAJIYXAPNHIM-UHFFFAOYSA-N
XLogP2.32
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide (CID 67531701) is methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide is CS/C(N)=N\c1ccc(C)cn1.I.
What is the InChIKey of methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide?
The InChIKey is WOEAJIYXAPNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S.HI/c1-6-3-4-7(10-5-6)11-8(9)12-2;/h3-5H,1-2H3,(H2,9,10,11);1H.
What are the key properties of methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide?
methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide has a molecular weight of 309.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide is sourced from PubChem (CID 67531701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).