(2,4,6-trimethylphenyl)thiourea

C10H14N2S — CID 2731118

IUPAC(2,4,6-trimethylphenyl)thiourea
SMILESCc1cc(C)c(NC(N)=S)c(C)c1
InChIInChI=1S/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChIKeyLBUGQLLKHAHCJJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.27
Rot. Bonds1

About (2,4,6-trimethylphenyl)thiourea

(2,4,6-trimethylphenyl)thiourea (PubChem CID 2731118) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)thiourea.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)thiourea
PubChem CID2731118
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name(2,4,6-trimethylphenyl)thiourea
SMILESCc1cc(C)c(NC(N)=S)c(C)c1
InChIInChI=1S/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChIKeyLBUGQLLKHAHCJJ-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.27
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-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
(2,6-dimethyl-4-nitrophenyl)thiourea
CID 169356550
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
CID 88753489
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-bromo-4-(carbamothioylamino)-5-methylbenzoic acid
CID 169357062
3-(2,4,6-trimethylanilino)butanethioamide
CID 82083745
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
CID 107546191
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
CID 103606412
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)thiourea?
The IUPAC name of (2,4,6-trimethylphenyl)thiourea (CID 2731118) is (2,4,6-trimethylphenyl)thiourea.
What is the SMILES notation for (2,4,6-trimethylphenyl)thiourea?
The canonical SMILES for (2,4,6-trimethylphenyl)thiourea is Cc1cc(C)c(NC(N)=S)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl)thiourea?
The InChIKey is LBUGQLLKHAHCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13).
What are the key properties of (2,4,6-trimethylphenyl)thiourea?
(2,4,6-trimethylphenyl)thiourea has a molecular weight of 194.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)thiourea is sourced from PubChem (CID 2731118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).