(2,4,6-trichlorophenyl)thiourea

C7H5Cl3N2S — CID 2731098

IUPAC(2,4,6-trichlorophenyl)thiourea
SMILESNC(=S)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3N2S/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyZUSZPZPGZMEXLA-UHFFFAOYSA-N
MW255.56 g/mol
LogP3.30
Rot. Bonds1

About (2,4,6-trichlorophenyl)thiourea

(2,4,6-trichlorophenyl)thiourea (PubChem CID 2731098) has the molecular formula C7H5Cl3N2S and a molecular weight of 255.56 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl)thiourea.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl)thiourea
PubChem CID2731098
Molecular FormulaC7H5Cl3N2S
Molecular Weight255.56 g/mol
Exact Mass253.92
IUPAC Name(2,4,6-trichlorophenyl)thiourea
SMILESNC(=S)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3N2S/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyZUSZPZPGZMEXLA-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.56
LogP ≤ 53.30
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

(2,6-dichlorophenyl)thiourea
CID 722776
(3-bromo-5-chlorophenyl)thiourea
CID 131211224
methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
(2-bromo-4-chloro-6-nitrophenyl)thiourea
CID 169356003
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
(3-chlorophenyl)thiourea
CID 2734794
(2,4,6-trimethylphenyl)thiourea
CID 2731118
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] N'-aminocarbamimidothioate
CID 77061134
1-[amino-(2,4,6-trichloroanilino)methylidene]-2-cyclopropylguanidine
CID 54274039
(4-bromo-2,5-dichlorophenyl)thiourea
CID 169356189
3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl)thiourea?
The IUPAC name of (2,4,6-trichlorophenyl)thiourea (CID 2731098) is (2,4,6-trichlorophenyl)thiourea.
What is the SMILES notation for (2,4,6-trichlorophenyl)thiourea?
The canonical SMILES for (2,4,6-trichlorophenyl)thiourea is NC(=S)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2,4,6-trichlorophenyl)thiourea?
The InChIKey is ZUSZPZPGZMEXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2S/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13).
What are the key properties of (2,4,6-trichlorophenyl)thiourea?
(2,4,6-trichlorophenyl)thiourea has a molecular weight of 255.56 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl)thiourea is sourced from PubChem (CID 2731098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).