1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea

C15H14Cl2N2S — CID 8676014

IUPAC1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2N2S/c1-10(13-4-2-3-5-14(13)17)18-15(20)19-12-8-6-11(16)7-9-12/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyCTUMNMCVZYRTHR-SNVBAGLBSA-N
MW325.26 g/mol
LogP5.04
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea

1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea (PubChem CID 8676014) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
PubChem CID8676014
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2N2S/c1-10(13-4-2-3-5-14(13)17)18-15(20)19-12-8-6-11(16)7-9-12/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyCTUMNMCVZYRTHR-SNVBAGLBSA-N
XLogP5.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.26
LogP ≤ 55.04
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-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8629060
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
[(1R)-1-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8727628
1-[1-(2-chlorophenyl)ethyl]-3-propylthiourea
CID 115570565
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
CID 40648030
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
2-[(4-chlorophenyl)carbamothioylamino]propanoic acid
CID 87649515
1-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 8654833
1-(4-bromo-3-chlorophenyl)-3-[(1S)-1-(2-methylphenyl)ethyl]thiourea
CID 100744119
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea
CID 127072457

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea (CID 8676014) is 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea is C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea?
The InChIKey is CTUMNMCVZYRTHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-10(13-4-2-3-5-14(13)17)18-15(20)19-12-8-6-11(16)7-9-12/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea?
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea has a molecular weight of 325.26 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea is sourced from PubChem (CID 8676014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).