1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea

C15H21BrN2S — CID 19687726

IUPAC1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
SMILESCCc1cc(Br)ccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C15H21BrN2S/c1-2-11-10-12(16)8-9-14(11)18-15(19)17-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H2,17,18,19)
InChIKeyVWEVPPBIQJFCCF-UHFFFAOYSA-N
MW341.32 g/mol
LogP4.63
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea

1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea (PubChem CID 19687726) has the molecular formula C15H21BrN2S and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
PubChem CID19687726
Molecular FormulaC15H21BrN2S
Molecular Weight341.32 g/mol
Exact Mass340.06
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
SMILESCCc1cc(Br)ccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C15H21BrN2S/c1-2-11-10-12(16)8-9-14(11)18-15(19)17-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H2,17,18,19)
InChIKeyVWEVPPBIQJFCCF-UHFFFAOYSA-N
XLogP4.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.63
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-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
1-(5-bromo-2-methoxyphenyl)-3-cyclohexylthiourea
CID 115588071
1-(5-bromo-2-chlorophenyl)-3-cyclopentylthiourea
CID 116508391
1-(4-bromo-2-chlorophenyl)-3-(4-bromo-2-ethylphenyl)thiourea
CID 19687725
1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
CID 19687710
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81004246
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea (CID 19687726) is 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea is CCc1cc(Br)ccc1NC(=S)NC1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea?
The InChIKey is VWEVPPBIQJFCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2S/c1-2-11-10-12(16)8-9-14(11)18-15(19)17-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea?
1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea has a molecular weight of 341.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea is sourced from PubChem (CID 19687726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).