(2-benzoyl-4-bromophenyl)thiourea

C14H11BrN2OS — CID 169360025

IUPAC(2-benzoyl-4-bromophenyl)thiourea
SMILESNC(=S)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H11BrN2OS/c15-10-6-7-12(17-14(16)19)11(8-10)13(18)9-4-2-1-3-5-9/h1-8H,(H3,16,17,19)
InChIKeyBXRBHPKLUAZOII-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.34
Rot. Bonds3

About (2-benzoyl-4-bromophenyl)thiourea

(2-benzoyl-4-bromophenyl)thiourea (PubChem CID 169360025) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is (2-benzoyl-4-bromophenyl)thiourea.

Molecular Properties

Compound Name(2-benzoyl-4-bromophenyl)thiourea
PubChem CID169360025
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name(2-benzoyl-4-bromophenyl)thiourea
SMILESNC(=S)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H11BrN2OS/c15-10-6-7-12(17-14(16)19)11(8-10)13(18)9-4-2-1-3-5-9/h1-8H,(H3,16,17,19)
InChIKeyBXRBHPKLUAZOII-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
1-(2-benzoylphenyl)-3-(4-bromo-2-chlorophenyl)thiourea
CID 19648826
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703358
N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
CID 40996274
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948
1-(2-benzoyl-4-bromophenyl)-3-(4-nitrophenyl)urea
CID 3126800
N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
CID 41099780

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-4-bromophenyl)thiourea?
The IUPAC name of (2-benzoyl-4-bromophenyl)thiourea (CID 169360025) is (2-benzoyl-4-bromophenyl)thiourea.
What is the SMILES notation for (2-benzoyl-4-bromophenyl)thiourea?
The canonical SMILES for (2-benzoyl-4-bromophenyl)thiourea is NC(=S)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoyl-4-bromophenyl)thiourea?
The InChIKey is BXRBHPKLUAZOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-10-6-7-12(17-14(16)19)11(8-10)13(18)9-4-2-1-3-5-9/h1-8H,(H3,16,17,19).
What are the key properties of (2-benzoyl-4-bromophenyl)thiourea?
(2-benzoyl-4-bromophenyl)thiourea has a molecular weight of 335.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-4-bromophenyl)thiourea is sourced from PubChem (CID 169360025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).