methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide

C8H10ClIN2S — CID 2818221

IUPACmethyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\c1ccc(Cl)cc1.I
InChIInChI=1S/C8H9ClN2S.HI/c1-12-8(10)11-7-4-2-6(9)3-5-7;/h2-5H,1H3,(H2,10,11);1H
InChIKeyIAMICGGSPZGNBW-UHFFFAOYSA-N
MW328.61 g/mol
LogP3.27
Rot. Bonds1

About methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide

methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide (PubChem CID 2818221) has the molecular formula C8H10ClIN2S and a molecular weight of 328.61 g/mol. Its IUPAC name is methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide
PubChem CID2818221
Molecular FormulaC8H10ClIN2S
Molecular Weight328.61 g/mol
Exact Mass327.93
IUPAC Namemethyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\c1ccc(Cl)cc1.I
InChIInChI=1S/C8H9ClN2S.HI/c1-12-8(10)11-7-4-2-6(9)3-5-7;/h2-5H,1H3,(H2,10,11);1H
InChIKeyIAMICGGSPZGNBW-UHFFFAOYSA-N
XLogP3.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(4-chlorophenyl)carbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide (CID 2818221) is methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide is CS/C(N)=N\c1ccc(Cl)cc1.I.
What is the InChIKey of methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide?
The InChIKey is IAMICGGSPZGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S.HI/c1-12-8(10)11-7-4-2-6(9)3-5-7;/h2-5H,1H3,(H2,10,11);1H.
What are the key properties of methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide?
methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide has a molecular weight of 328.61 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(4-chlorophenyl)carbamimidothioate;hydroiodide is sourced from PubChem (CID 2818221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).