1,3-bis(2,4,6-trimethylphenyl)thiourea

C19H24N2S — CID 2307469

IUPAC1,3-bis(2,4,6-trimethylphenyl)thiourea
SMILESCc1cc(C)c(NC(=S)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H24N2S/c1-11-7-13(3)17(14(4)8-11)20-19(22)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3,(H2,20,21,22)
InChIKeyBFOMXQHNKPGYER-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.35
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)thiourea

1,3-bis(2,4,6-trimethylphenyl)thiourea (PubChem CID 2307469) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)thiourea.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)thiourea
PubChem CID2307469
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)thiourea
SMILESCc1cc(C)c(NC(=S)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H24N2S/c1-11-7-13(3)17(14(4)8-11)20-19(22)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3,(H2,20,21,22)
InChIKeyBFOMXQHNKPGYER-UHFFFAOYSA-N
XLogP5.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.35
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-(4-fluorophenyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 3624960
(2,4,6-trimethylphenyl)thiourea
CID 2731118
1-(2,6-ditert-butylphenyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 156865135
1-(2-methylprop-2-enyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 4664118
1-(2-bromo-4,6-dimethylphenyl)-3-methylthiourea
CID 116509575
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5012399
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-(2-bromo-4,6-dimethylphenyl)-3-propan-2-ylthiourea
CID 116509583
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 8676937
2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 26163745
1-(2-bromo-4,6-dimethylphenyl)-3-propylthiourea
CID 116509578

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)thiourea?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)thiourea (CID 2307469) is 1,3-bis(2,4,6-trimethylphenyl)thiourea.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)thiourea?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)thiourea is Cc1cc(C)c(NC(=S)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)thiourea?
The InChIKey is BFOMXQHNKPGYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-11-7-13(3)17(14(4)8-11)20-19(22)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3,(H2,20,21,22).
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)thiourea?
1,3-bis(2,4,6-trimethylphenyl)thiourea has a molecular weight of 312.48 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)thiourea is sourced from PubChem (CID 2307469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).