1-cyclohexyl-3-(3-phenylphenyl)thiourea

C19H22N2S — CID 57392119

IUPAC1-cyclohexyl-3-(3-phenylphenyl)thiourea
SMILESS=C(Nc1cccc(-c2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C19H22N2S/c22-19(20-17-11-5-2-6-12-17)21-18-13-7-10-16(14-18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2,(H2,20,21,22)
InChIKeyQSWDIIKVSCHWQV-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.97
Rot. Bonds3

About 1-cyclohexyl-3-(3-phenylphenyl)thiourea

1-cyclohexyl-3-(3-phenylphenyl)thiourea (PubChem CID 57392119) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-phenylphenyl)thiourea
PubChem CID57392119
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name1-cyclohexyl-3-(3-phenylphenyl)thiourea
SMILESS=C(Nc1cccc(-c2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C19H22N2S/c22-19(20-17-11-5-2-6-12-17)21-18-13-7-10-16(14-18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2,(H2,20,21,22)
InChIKeyQSWDIIKVSCHWQV-UHFFFAOYSA-N
XLogP4.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.97
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-cycloheptyl-3-phenylthiourea
CID 4085620
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075987
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
1-cyclopentyl-3-(3-methylsulfanylphenyl)thiourea
CID 116507255
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
CID 167893023
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
methyl 2-(cycloheptylcarbamothioylamino)-5-phenylthiophene-3-carboxylate
CID 19650488
1-(3-chloro-4-hydroxyphenyl)-3-cyclohexylthiourea
CID 87655575

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-phenylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(3-phenylphenyl)thiourea (CID 57392119) is 1-cyclohexyl-3-(3-phenylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(3-phenylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(3-phenylphenyl)thiourea is S=C(Nc1cccc(-c2ccccc2)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-phenylphenyl)thiourea?
The InChIKey is QSWDIIKVSCHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c22-19(20-17-11-5-2-6-12-17)21-18-13-7-10-16(14-18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-(3-phenylphenyl)thiourea?
1-cyclohexyl-3-(3-phenylphenyl)thiourea has a molecular weight of 310.47 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-phenylphenyl)thiourea is sourced from PubChem (CID 57392119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).