[4-(4-bromophenoxy)phenyl]thiourea

C13H11BrN2OS — CID 99938022

IUPAC[4-(4-bromophenoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2OS/c14-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)16-13(15)18/h1-8H,(H3,15,16,18)
InChIKeyRFEMNAJTGNTYEE-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.90
Rot. Bonds3

About [4-(4-bromophenoxy)phenyl]thiourea

[4-(4-bromophenoxy)phenyl]thiourea (PubChem CID 99938022) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is [4-(4-bromophenoxy)phenyl]thiourea.

Molecular Properties

Compound Name[4-(4-bromophenoxy)phenyl]thiourea
PubChem CID99938022
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name[4-(4-bromophenoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2OS/c14-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)16-13(15)18/h1-8H,(H3,15,16,18)
InChIKeyRFEMNAJTGNTYEE-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(4-bromophenoxy)phenyl]thiourea 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

[4-(3-methoxyphenoxy)phenyl]thiourea
CID 169356411
1-[4-(4-bromophenoxy)phenyl]-3-prop-2-enylthiourea
CID 8679715
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
4-bromo-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 2385205
[4-(2-chlorophenoxy)phenyl]thiourea
CID 13275077
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
(4-propan-2-yloxyphenyl)thiourea;hydrochloride
CID 139878067
1-amino-3-(4-bromophenyl)thiourea
CID 2735617
4-[4-(4-bromophenoxy)anilino]-4-oxobut-2-enoate
CID 7039727
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779
1-[(E)-[4-(4-bromophenoxy)phenyl]methylideneamino]-3-(4-methylphenyl)thiourea
CID 71698871
1-(4-bromophenyl)-3-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]thiourea
CID 56970998

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenoxy)phenyl]thiourea?
The IUPAC name of [4-(4-bromophenoxy)phenyl]thiourea (CID 99938022) is [4-(4-bromophenoxy)phenyl]thiourea.
What is the SMILES notation for [4-(4-bromophenoxy)phenyl]thiourea?
The canonical SMILES for [4-(4-bromophenoxy)phenyl]thiourea is NC(=S)Nc1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of [4-(4-bromophenoxy)phenyl]thiourea?
The InChIKey is RFEMNAJTGNTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c14-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)16-13(15)18/h1-8H,(H3,15,16,18).
What are the key properties of [4-(4-bromophenoxy)phenyl]thiourea?
[4-(4-bromophenoxy)phenyl]thiourea has a molecular weight of 323.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenoxy)phenyl]thiourea is sourced from PubChem (CID 99938022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).