[(2,4-dibromobenzoyl)amino]thiourea

C8H7Br2N3OS — CID 107941941

IUPAC[(2,4-dibromobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C8H7Br2N3OS/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKeyXMYACPPRYYJKDR-UHFFFAOYSA-N
MW353.04 g/mol
LogP1.69
Rot. Bonds1

About [(2,4-dibromobenzoyl)amino]thiourea

[(2,4-dibromobenzoyl)amino]thiourea (PubChem CID 107941941) has the molecular formula C8H7Br2N3OS and a molecular weight of 353.04 g/mol. Its IUPAC name is [(2,4-dibromobenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(2,4-dibromobenzoyl)amino]thiourea
PubChem CID107941941
Molecular FormulaC8H7Br2N3OS
Molecular Weight353.04 g/mol
Exact Mass350.87
IUPAC Name[(2,4-dibromobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C8H7Br2N3OS/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKeyXMYACPPRYYJKDR-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-carbamoylbenzamide
CID 107941660
2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide
CID 19167014
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
2,4-dibromo-N-methylbenzamide
CID 54214948
[(4-bromo-2-chlorobenzoyl)amino]urea
CID 63297620
2-[(carbamothioylamino)carbamoyl]benzamide
CID 15536924
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
2,4-dibromobenzoic acid
CID 11896

Frequently Asked Questions

What is the IUPAC name of [(2,4-dibromobenzoyl)amino]thiourea?
The IUPAC name of [(2,4-dibromobenzoyl)amino]thiourea (CID 107941941) is [(2,4-dibromobenzoyl)amino]thiourea.
What is the SMILES notation for [(2,4-dibromobenzoyl)amino]thiourea?
The canonical SMILES for [(2,4-dibromobenzoyl)amino]thiourea is NC(=S)NNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of [(2,4-dibromobenzoyl)amino]thiourea?
The InChIKey is XMYACPPRYYJKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3OS/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15).
What are the key properties of [(2,4-dibromobenzoyl)amino]thiourea?
[(2,4-dibromobenzoyl)amino]thiourea has a molecular weight of 353.04 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dibromobenzoyl)amino]thiourea is sourced from PubChem (CID 107941941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).