(2-iodo-4-methylphenyl)thiourea

C8H9IN2S — CID 44622934

IUPAC(2-iodo-4-methylphenyl)thiourea
SMILESCc1ccc(NC(N)=S)c(I)c1
InChIInChI=1S/C8H9IN2S/c1-5-2-3-7(6(9)4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyVCHSRJNXZZYJMV-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.26
Rot. Bonds1

About (2-iodo-4-methylphenyl)thiourea

(2-iodo-4-methylphenyl)thiourea (PubChem CID 44622934) has the molecular formula C8H9IN2S and a molecular weight of 292.15 g/mol. Its IUPAC name is (2-iodo-4-methylphenyl)thiourea.

Molecular Properties

Compound Name(2-iodo-4-methylphenyl)thiourea
PubChem CID44622934
Molecular FormulaC8H9IN2S
Molecular Weight292.15 g/mol
Exact Mass291.95
IUPAC Name(2-iodo-4-methylphenyl)thiourea
SMILESCc1ccc(NC(N)=S)c(I)c1
InChIInChI=1S/C8H9IN2S/c1-5-2-3-7(6(9)4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyVCHSRJNXZZYJMV-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.26
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

(2-bromo-5-methylphenyl)thiourea
CID 82757187
2-(carbamothioylamino)-5-methylbenzenesulfonic acid
CID 169359913
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037
[5-methyl-2-(trifluoromethyl)phenyl]thiourea
CID 86633158
prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
CID 6426310
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
(2,4,6-trimethylphenyl)thiourea
CID 2731118
(2-iodo-4-methylphenyl)cyanamide
CID 54590722
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 4063907
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928

Frequently Asked Questions

What is the IUPAC name of (2-iodo-4-methylphenyl)thiourea?
The IUPAC name of (2-iodo-4-methylphenyl)thiourea (CID 44622934) is (2-iodo-4-methylphenyl)thiourea.
What is the SMILES notation for (2-iodo-4-methylphenyl)thiourea?
The canonical SMILES for (2-iodo-4-methylphenyl)thiourea is Cc1ccc(NC(N)=S)c(I)c1.
What is the InChIKey of (2-iodo-4-methylphenyl)thiourea?
The InChIKey is VCHSRJNXZZYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2S/c1-5-2-3-7(6(9)4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (2-iodo-4-methylphenyl)thiourea?
(2-iodo-4-methylphenyl)thiourea has a molecular weight of 292.15 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-4-methylphenyl)thiourea is sourced from PubChem (CID 44622934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).