[(4-nitrobenzoyl)amino]thiourea

C8H8N4O3S — CID 3751882

IUPAC[(4-nitrobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O3S/c9-8(16)11-10-7(13)5-1-3-6(4-2-5)12(14)15/h1-4H,(H,10,13)(H3,9,11,16)
InChIKeyBLVUOQNUPMCZJH-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.07
Rot. Bonds2

About [(4-nitrobenzoyl)amino]thiourea

[(4-nitrobenzoyl)amino]thiourea (PubChem CID 3751882) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is [(4-nitrobenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(4-nitrobenzoyl)amino]thiourea
PubChem CID3751882
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name[(4-nitrobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O3S/c9-8(16)11-10-7(13)5-1-3-6(4-2-5)12(14)15/h1-4H,(H,10,13)(H3,9,11,16)
InChIKeyBLVUOQNUPMCZJH-UHFFFAOYSA-N
XLogP0.07
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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 [(4-nitrobenzoyl)amino]thiourea?
The IUPAC name of [(4-nitrobenzoyl)amino]thiourea (CID 3751882) is [(4-nitrobenzoyl)amino]thiourea.
What is the SMILES notation for [(4-nitrobenzoyl)amino]thiourea?
The canonical SMILES for [(4-nitrobenzoyl)amino]thiourea is NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(4-nitrobenzoyl)amino]thiourea?
The InChIKey is BLVUOQNUPMCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c9-8(16)11-10-7(13)5-1-3-6(4-2-5)12(14)15/h1-4H,(H,10,13)(H3,9,11,16).
What are the key properties of [(4-nitrobenzoyl)amino]thiourea?
[(4-nitrobenzoyl)amino]thiourea has a molecular weight of 240.24 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-nitrobenzoyl)amino]thiourea is sourced from PubChem (CID 3751882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).