1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea

C15H15ClN2S — CID 1489667

IUPAC1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2S/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeySJPVDSFOTQZLMK-NSHDSACASA-N
MW290.82 g/mol
LogP4.39
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea

1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea (PubChem CID 1489667) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea
PubChem CID1489667
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2S/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeySJPVDSFOTQZLMK-NSHDSACASA-N
XLogP4.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea (CID 1489667) is 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea is C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea?
The InChIKey is SJPVDSFOTQZLMK-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea?
1-(4-chlorophenyl)-3-[(1S)-1-phenylethyl]thiourea has a molecular weight of 290.82 g/mol, XLogP of 4.39, 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-[(1S)-1-phenylethyl]thiourea is sourced from PubChem (CID 1489667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).