(4-fluoro-2-methyl-6-nitrophenyl)thiourea

C8H8FN3O2S — CID 169356144

IUPAC(4-fluoro-2-methyl-6-nitrophenyl)thiourea
SMILESCc1cc(F)cc([N+](=O)[O-])c1NC(N)=S
InChIInChI=1S/C8H8FN3O2S/c1-4-2-5(9)3-6(12(13)14)7(4)11-8(10)15/h2-3H,1H3,(H3,10,11,15)
InChIKeyDVIVGOUKTGGICX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.70
Rot. Bonds2

About (4-fluoro-2-methyl-6-nitrophenyl)thiourea

(4-fluoro-2-methyl-6-nitrophenyl)thiourea (PubChem CID 169356144) has the molecular formula C8H8FN3O2S and a molecular weight of 229.24 g/mol. Its IUPAC name is (4-fluoro-2-methyl-6-nitrophenyl)thiourea.

Molecular Properties

Compound Name(4-fluoro-2-methyl-6-nitrophenyl)thiourea
PubChem CID169356144
Molecular FormulaC8H8FN3O2S
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC Name(4-fluoro-2-methyl-6-nitrophenyl)thiourea
SMILESCc1cc(F)cc([N+](=O)[O-])c1NC(N)=S
InChIInChI=1S/C8H8FN3O2S/c1-4-2-5(9)3-6(12(13)14)7(4)11-8(10)15/h2-3H,1H3,(H3,10,11,15)
InChIKeyDVIVGOUKTGGICX-UHFFFAOYSA-N
XLogP1.70
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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

[2-methyl-6-nitro-4-(trifluoromethoxy)phenyl]thiourea
CID 169359005
(2,6-dimethyl-4-nitrophenyl)thiourea
CID 169356550
dimethyl (E)-2-(4-fluoro-2-methyl-6-nitroanilino)but-2-enedioate
CID 168568242
methyl 4-fluoro-2-methyl-6-nitrobenzoate
CID 134647711
1-chloro-3-(4-fluoro-2-methyl-6-nitroanilino)propan-2-ol
CID 168636563
(2-bromo-4-chloro-6-nitrophenyl)thiourea
CID 169356003
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(2,4,6-trimethylphenyl)thiourea
CID 2731118
[5-fluoro-2-nitro-4-(trifluoromethyl)phenyl]thiourea
CID 169357413
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)thiourea
CID 169356342

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methyl-6-nitrophenyl)thiourea?
The IUPAC name of (4-fluoro-2-methyl-6-nitrophenyl)thiourea (CID 169356144) is (4-fluoro-2-methyl-6-nitrophenyl)thiourea.
What is the SMILES notation for (4-fluoro-2-methyl-6-nitrophenyl)thiourea?
The canonical SMILES for (4-fluoro-2-methyl-6-nitrophenyl)thiourea is Cc1cc(F)cc([N+](=O)[O-])c1NC(N)=S.
What is the InChIKey of (4-fluoro-2-methyl-6-nitrophenyl)thiourea?
The InChIKey is DVIVGOUKTGGICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2S/c1-4-2-5(9)3-6(12(13)14)7(4)11-8(10)15/h2-3H,1H3,(H3,10,11,15).
What are the key properties of (4-fluoro-2-methyl-6-nitrophenyl)thiourea?
(4-fluoro-2-methyl-6-nitrophenyl)thiourea has a molecular weight of 229.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methyl-6-nitrophenyl)thiourea is sourced from PubChem (CID 169356144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).