1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea

C16H17ClN2S — CID 133217013

IUPAC1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
SMILESCc1ccccc1C(C)NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2S/c1-11-6-3-4-9-15(11)12(2)18-16(20)19-14-8-5-7-13(17)10-14/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyUQUOSNJYDMMTBF-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.70
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea (PubChem CID 133217013) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
PubChem CID133217013
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
SMILESCc1ccccc1C(C)NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2S/c1-11-6-3-4-9-15(11)12(2)18-16(20)19-14-8-5-7-13(17)10-14/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyUQUOSNJYDMMTBF-UHFFFAOYSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.70
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-(3-chlorophenyl)-3-[2-methyl-1-(2-methylphenyl)propyl]thiourea
CID 133218095
1-(4-bromo-3-chlorophenyl)-3-[(1S)-1-(2-methylphenyl)ethyl]thiourea
CID 100744119
1-(3-chlorophenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045497
1-[3-[methyl(methylsulfonyl)amino]phenyl]-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133217034
ethyl 2-chloro-4-[1-(2-methylphenyl)ethylcarbamothioylamino]benzoate
CID 133217048
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
1-(3-chlorophenyl)-3-[(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 133218243
1-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 5017952
1-(3-chlorophenyl)-3-(1-phenoxypropan-2-yl)thiourea
CID 133217062
1-(3-chlorophenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725093
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
CID 8676014
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100744494

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea (CID 133217013) is 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea is Cc1ccccc1C(C)NC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
The InChIKey is UQUOSNJYDMMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-11-6-3-4-9-15(11)12(2)18-16(20)19-14-8-5-7-13(17)10-14/h3-10,12H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea has a molecular weight of 304.85 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-(2-methylphenyl)ethyl]thiourea is sourced from PubChem (CID 133217013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).