[(2-chlorobenzoyl)amino]thiourea

C8H8ClN3OS — CID 2798264

IUPAC[(2-chlorobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C8H8ClN3OS/c9-6-4-2-1-3-5(6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14)
InChIKeyUIFYWABCNNFQJB-UHFFFAOYSA-N
MW229.69 g/mol
LogP0.82
Rot. Bonds1

About [(2-chlorobenzoyl)amino]thiourea

[(2-chlorobenzoyl)amino]thiourea (PubChem CID 2798264) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is [(2-chlorobenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(2-chlorobenzoyl)amino]thiourea
PubChem CID2798264
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name[(2-chlorobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C8H8ClN3OS/c9-6-4-2-1-3-5(6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14)
InChIKeyUIFYWABCNNFQJB-UHFFFAOYSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of [(2-chlorobenzoyl)amino]thiourea?
The IUPAC name of [(2-chlorobenzoyl)amino]thiourea (CID 2798264) is [(2-chlorobenzoyl)amino]thiourea.
What is the SMILES notation for [(2-chlorobenzoyl)amino]thiourea?
The canonical SMILES for [(2-chlorobenzoyl)amino]thiourea is NC(=S)NNC(=O)c1ccccc1Cl.
What is the InChIKey of [(2-chlorobenzoyl)amino]thiourea?
The InChIKey is UIFYWABCNNFQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c9-6-4-2-1-3-5(6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14).
What are the key properties of [(2-chlorobenzoyl)amino]thiourea?
[(2-chlorobenzoyl)amino]thiourea has a molecular weight of 229.69 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorobenzoyl)amino]thiourea is sourced from PubChem (CID 2798264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).