1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea

C15H15ClN2OS — CID 4592854

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
SMILESS=C(NCCOc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-13-8-4-5-9-14(13)19-11-10-17-15(20)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,20)
InChIKeyPULFXKXHJNFKID-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.71
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea

1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea (PubChem CID 4592854) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
PubChem CID4592854
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
SMILESS=C(NCCOc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-13-8-4-5-9-14(13)19-11-10-17-15(20)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,20)
InChIKeyPULFXKXHJNFKID-UHFFFAOYSA-N
XLogP3.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-3-(4-fluorophenyl)thiourea
CID 100749849
1-[2-(2-chlorophenoxy)ethyl]-3-(4-methylphenyl)thiourea
CID 100749748
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100749903
methyl 3-[2-(2-chlorophenoxy)ethylcarbamothioylamino]benzoate
CID 100749989
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100750010
1-[2-(2-chlorophenoxy)ethyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100749935
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
1-[2-(2,4-dimethylphenoxy)ethyl]-3-phenylthiourea
CID 92541792
1-[2-(2-chlorophenoxy)ethyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100749820
1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8680445
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea (CID 4592854) is 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea is S=C(NCCOc1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea?
The InChIKey is PULFXKXHJNFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-8-4-5-9-14(13)19-11-10-17-15(20)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,20).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea?
1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea has a molecular weight of 306.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea is sourced from PubChem (CID 4592854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).