1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea

C11H13IN2S — CID 8679311

IUPAC1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CC2)cc1I
InChIInChI=1S/C11H13IN2S/c1-7-2-3-9(6-10(7)12)14-11(15)13-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyVGJAJJDRXKJRKS-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.05
Rot. Bonds2

About 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea

1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea (PubChem CID 8679311) has the molecular formula C11H13IN2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea
PubChem CID8679311
Molecular FormulaC11H13IN2S
Molecular Weight332.21 g/mol
Exact Mass331.98
IUPAC Name1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CC2)cc1I
InChIInChI=1S/C11H13IN2S/c1-7-2-3-9(6-10(7)12)14-11(15)13-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyVGJAJJDRXKJRKS-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
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

1-cyclopropyl-3-(4-methyl-3-nitrophenyl)thiourea
CID 7942249
1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
CID 798123
4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3,4-dimethylphenyl)thiourea
CID 7389689
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
CID 64502521
1-cyclopropyl-3-(1,3-dioxoisoindol-5-yl)thiourea
CID 116507247
1-(1-benzoylpiperidin-4-yl)-3-(3,4-dimethylphenyl)thiourea
CID 92519816
1-cyclooctyl-3-(3,5-dimethylphenyl)thiourea
CID 19650518
2-(3-iodo-4-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168610702
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea (CID 8679311) is 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea is Cc1ccc(NC(=S)NC2CC2)cc1I.
What is the InChIKey of 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea?
The InChIKey is VGJAJJDRXKJRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2S/c1-7-2-3-9(6-10(7)12)14-11(15)13-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea?
1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea has a molecular weight of 332.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea is sourced from PubChem (CID 8679311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).