1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea

C19H24N2S — CID 175345142

IUPAC1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea
SMILESCCc1cccc(C)c1N(C(N)=S)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24N2S/c1-6-16-9-7-8-13(3)18(16)21(19(20)22)17-14(4)10-12(2)11-15(17)5/h7-11H,6H2,1-5H3,(H2,20,22)
InChIKeyTXDLSGFPCMWHBP-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.86
Rot. Bonds3

About 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea

1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea (PubChem CID 175345142) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea
PubChem CID175345142
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea
SMILESCCc1cccc(C)c1N(C(N)=S)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24N2S/c1-6-16-9-7-8-13(3)18(16)21(19(20)22)17-14(4)10-12(2)11-15(17)5/h7-11H,6H2,1-5H3,(H2,20,22)
InChIKeyTXDLSGFPCMWHBP-UHFFFAOYSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(2-ethyl-6-methylphenyl)thiourea
CID 20849979
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
2-(2-ethyl-6-methylphenyl)ethanethioamide
CID 149269494
2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015
2-ethyl-6-(2,4,6-trimethylphenyl)phenol
CID 132576602
N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide
CID 90701273
N,2-diethyl-N,4,6-trimethylaniline
CID 170122413
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
(2-ethyl-6-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 157171330
3-(2,6-diethyl-N-methylanilino)propan-1-ol
CID 117029253
1-(2,6-diethylphenyl)-1-[(5-methylfuran-2-carbonyl)amino]thiourea
CID 135341183

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea (CID 175345142) is 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea is CCc1cccc(C)c1N(C(N)=S)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea?
The InChIKey is TXDLSGFPCMWHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-6-16-9-7-8-13(3)18(16)21(19(20)22)17-14(4)10-12(2)11-15(17)5/h7-11H,6H2,1-5H3,(H2,20,22).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea?
1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea is sourced from PubChem (CID 175345142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).