[4-(2-chlorophenoxy)phenyl]thiourea

C13H11ClN2OS — CID 13275077

IUPAC[4-(2-chlorophenoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClN2OS/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)16-13(15)18/h1-8H,(H3,15,16,18)
InChIKeyLERURMITKNVZGB-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.79
Rot. Bonds3

About [4-(2-chlorophenoxy)phenyl]thiourea

[4-(2-chlorophenoxy)phenyl]thiourea (PubChem CID 13275077) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)phenyl]thiourea.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)phenyl]thiourea
PubChem CID13275077
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name[4-(2-chlorophenoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClN2OS/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)16-13(15)18/h1-8H,(H3,15,16,18)
InChIKeyLERURMITKNVZGB-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea
CID 169357493
N-[4-(2-chlorophenoxy)phenyl]-3-methylbut-2-enamide
CID 17488433
dimethyl (E)-2-[4-(2-chlorophenoxy)anilino]but-2-enedioate
CID 168566601
(2S)-2-[4-(2-chlorophenoxy)anilino]-2-phenylacetamide
CID 25344822
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
[4-(4-bromophenoxy)phenyl]thiourea
CID 99938022
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852
N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 112820322
5-(2-chlorophenoxy)pyridine-2-carbothioamide
CID 113321027
azane;1-chloro-2-phenoxybenzene
CID 68980819
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
[4-(3-methoxyphenoxy)phenyl]thiourea
CID 169356411

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)phenyl]thiourea?
The IUPAC name of [4-(2-chlorophenoxy)phenyl]thiourea (CID 13275077) is [4-(2-chlorophenoxy)phenyl]thiourea.
What is the SMILES notation for [4-(2-chlorophenoxy)phenyl]thiourea?
The canonical SMILES for [4-(2-chlorophenoxy)phenyl]thiourea is NC(=S)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of [4-(2-chlorophenoxy)phenyl]thiourea?
The InChIKey is LERURMITKNVZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)16-13(15)18/h1-8H,(H3,15,16,18).
What are the key properties of [4-(2-chlorophenoxy)phenyl]thiourea?
[4-(2-chlorophenoxy)phenyl]thiourea has a molecular weight of 278.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)phenyl]thiourea is sourced from PubChem (CID 13275077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).