(3-fluoro-4-methylphenyl)thiourea

C8H9FN2S — CID 7131234

IUPAC(3-fluoro-4-methylphenyl)thiourea
SMILESCc1ccc(NC(N)=S)cc1F
InChIInChI=1S/C8H9FN2S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyRMSNWOXIGGJJJW-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.79
Rot. Bonds1

About (3-fluoro-4-methylphenyl)thiourea

(3-fluoro-4-methylphenyl)thiourea (PubChem CID 7131234) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)thiourea.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)thiourea
PubChem CID7131234
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC Name(3-fluoro-4-methylphenyl)thiourea
SMILESCc1ccc(NC(N)=S)cc1F
InChIInChI=1S/C8H9FN2S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyRMSNWOXIGGJJJW-UHFFFAOYSA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
(4-chloro-3-methylphenyl)thiourea
CID 88635123
1-(3-fluoro-4-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 53489176
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
(3-fluoro-4-methylphenyl)hydrazine;hydrochloride
CID 44557932
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
methyl 3-[(3-fluoro-4-methylphenyl)carbamothioylamino]benzoate
CID 46627843
ethyl 5-(carbamothioylamino)-2-fluorobenzoate
CID 169356235
[4-(2,2-dimethylpropoxy)-3-fluorophenyl]thiourea
CID 169358959
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)thiourea?
The IUPAC name of (3-fluoro-4-methylphenyl)thiourea (CID 7131234) is (3-fluoro-4-methylphenyl)thiourea.
What is the SMILES notation for (3-fluoro-4-methylphenyl)thiourea?
The canonical SMILES for (3-fluoro-4-methylphenyl)thiourea is Cc1ccc(NC(N)=S)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)thiourea?
The InChIKey is RMSNWOXIGGJJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (3-fluoro-4-methylphenyl)thiourea?
(3-fluoro-4-methylphenyl)thiourea has a molecular weight of 184.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)thiourea is sourced from PubChem (CID 7131234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).