3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide

C9H12ClIN2S — CID 118931463

IUPAC3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide
SMILESCN(C)C(=S)Nc1ccc(Cl)cc1.I
InChIInChI=1S/C9H11ClN2S.HI/c1-12(2)9(13)11-8-5-3-7(10)4-6-8;/h3-6H,1-2H3,(H,11,13);1H
InChIKeySSWSYXZJPSOVCL-UHFFFAOYSA-N
MW342.63 g/mol
LogP3.22
Rot. Bonds1

About 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide

3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide (PubChem CID 118931463) has the molecular formula C9H12ClIN2S and a molecular weight of 342.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide
PubChem CID118931463
Molecular FormulaC9H12ClIN2S
Molecular Weight342.63 g/mol
Exact Mass341.95
IUPAC Name3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide
SMILESCN(C)C(=S)Nc1ccc(Cl)cc1.I
InChIInChI=1S/C9H11ClN2S.HI/c1-12(2)9(13)11-8-5-3-7(10)4-6-8;/h3-6H,1-2H3,(H,11,13);1H
InChIKeySSWSYXZJPSOVCL-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-methyl-1-propan-2-ylthiourea
CID 8669365
3-(3-chlorophenyl)-1,1-dimethylthiourea
CID 3667583
3-(4-chlorophenyl)-1,1-bis(2-methylpropyl)thiourea
CID 2386179
1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea
CID 8682387
3-(4-chlorophenyl)-1-ethyl-1-(ethylamino)thiourea
CID 134095480
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-methylthiourea
CID 8769838
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
3-(4-chlorophenyl)-1-[(E)-furan-2-ylmethylideneamino]-1-methylthiourea
CID 134112858
1-[(Z)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylthiourea
CID 101014473
3-(4-chlorophenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea
CID 4161356
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-1-ium-4-ylmethyl)thiourea
CID 4558258
1-[1-[1-(4-chloroanilino)ethenyl]pyrazol-3-yl]-3-(4-chlorophenyl)-1-methylthiourea
CID 166956558

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide?
The IUPAC name of 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide (CID 118931463) is 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide?
The canonical SMILES for 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide is CN(C)C(=S)Nc1ccc(Cl)cc1.I.
What is the InChIKey of 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide?
The InChIKey is SSWSYXZJPSOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S.HI/c1-12(2)9(13)11-8-5-3-7(10)4-6-8;/h3-6H,1-2H3,(H,11,13);1H.
What are the key properties of 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide?
3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide has a molecular weight of 342.63 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide is sourced from PubChem (CID 118931463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).