1-amino-3-(4-iodophenyl)thiourea

C7H8IN3S — CID 2759372

IUPAC1-amino-3-(4-iodophenyl)thiourea
SMILESNNC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C7H8IN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKeyCCSJNFXUPWXVKI-UHFFFAOYSA-N
MW293.13 g/mol
LogP1.45
Rot. Bonds1

About 1-amino-3-(4-iodophenyl)thiourea

1-amino-3-(4-iodophenyl)thiourea (PubChem CID 2759372) has the molecular formula C7H8IN3S and a molecular weight of 293.13 g/mol. Its IUPAC name is 1-amino-3-(4-iodophenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-iodophenyl)thiourea
PubChem CID2759372
Molecular FormulaC7H8IN3S
Molecular Weight293.13 g/mol
Exact Mass292.95
IUPAC Name1-amino-3-(4-iodophenyl)thiourea
SMILESNNC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C7H8IN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKeyCCSJNFXUPWXVKI-UHFFFAOYSA-N
XLogP1.45
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(4-bromophenyl)thiourea
CID 2735617
1-amino-3-[4-(aminomethyl)phenyl]thiourea
CID 151819170
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-iodophenyl)thiourea
CID 2826249
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
1-amino-3-[4-(methoxymethyl)phenyl]thiourea
CID 130496417
1-(4-iodophenyl)-3-(3-methylpentan-3-yl)thiourea
CID 134276561
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53365050
1-amino-3-(3-bromo-4-fluorophenyl)thiourea
CID 51000224
N-(4-iodophenyl)acetamide
CID 12147
1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53489169
1-(2-chloro-4-fluorophenyl)-3-(4-iodophenyl)thiourea
CID 53489361

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-iodophenyl)thiourea?
The IUPAC name of 1-amino-3-(4-iodophenyl)thiourea (CID 2759372) is 1-amino-3-(4-iodophenyl)thiourea.
What is the SMILES notation for 1-amino-3-(4-iodophenyl)thiourea?
The canonical SMILES for 1-amino-3-(4-iodophenyl)thiourea is NNC(=S)Nc1ccc(I)cc1.
What is the InChIKey of 1-amino-3-(4-iodophenyl)thiourea?
The InChIKey is CCSJNFXUPWXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(4-iodophenyl)thiourea?
1-amino-3-(4-iodophenyl)thiourea has a molecular weight of 293.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-iodophenyl)thiourea is sourced from PubChem (CID 2759372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).