1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea

C15H24N2S — CID 19675009

IUPAC1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea
SMILESCc1ccc(C(C)NC(=S)NCC(C)C)cc1C
InChIInChI=1S/C15H24N2S/c1-10(2)9-16-15(18)17-13(5)14-7-6-11(3)12(4)8-14/h6-8,10,13H,9H2,1-5H3,(H2,16,17,18)
InChIKeyJALQKSARQWKDSM-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.48
Rot. Bonds4

About 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea

1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea (PubChem CID 19675009) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea
PubChem CID19675009
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea
SMILESCc1ccc(C(C)NC(=S)NCC(C)C)cc1C
InChIInChI=1S/C15H24N2S/c1-10(2)9-16-15(18)17-13(5)14-7-6-11(3)12(4)8-14/h6-8,10,13H,9H2,1-5H3,(H2,16,17,18)
InChIKeyJALQKSARQWKDSM-UHFFFAOYSA-N
XLogP3.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.48
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-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675508
1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
1-cyclopropyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675013
1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675012
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 19675005
1-(2,6-difluorophenyl)-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 133216411
1-[4-(cyanomethyl)phenyl]-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100729537
1-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methylpropyl)thiourea
CID 19675592
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
1-(3,4-dimethoxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 978145
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 133216429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea (CID 19675009) is 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea is Cc1ccc(C(C)NC(=S)NCC(C)C)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea?
The InChIKey is JALQKSARQWKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10(2)9-16-15(18)17-13(5)14-7-6-11(3)12(4)8-14/h6-8,10,13H,9H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea?
1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea has a molecular weight of 264.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 19675009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).