(4-sulfamoylphenyl)thiourea

C7H9N3O2S2 — CID 716519

IUPAC(4-sulfamoylphenyl)thiourea
SMILESNC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9N3O2S2/c8-7(13)10-5-1-3-6(4-2-5)14(9,11)12/h1-4H,(H3,8,10,13)(H2,9,11,12)
InChIKeyOGAAVFJBPHTLNL-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.01
Rot. Bonds2

About (4-sulfamoylphenyl)thiourea

(4-sulfamoylphenyl)thiourea (PubChem CID 716519) has the molecular formula C7H9N3O2S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name(4-sulfamoylphenyl)thiourea
PubChem CID716519
Molecular FormulaC7H9N3O2S2
Molecular Weight231.30 g/mol
Exact Mass231.01
IUPAC Name(4-sulfamoylphenyl)thiourea
SMILESNC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9N3O2S2/c8-7(13)10-5-1-3-6(4-2-5)14(9,11)12/h1-4H,(H3,8,10,13)(H2,9,11,12)
InChIKeyOGAAVFJBPHTLNL-UHFFFAOYSA-N
XLogP-0.01
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylphenyl)thiourea?
The IUPAC name of (4-sulfamoylphenyl)thiourea (CID 716519) is (4-sulfamoylphenyl)thiourea.
What is the SMILES notation for (4-sulfamoylphenyl)thiourea?
The canonical SMILES for (4-sulfamoylphenyl)thiourea is NC(=S)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (4-sulfamoylphenyl)thiourea?
The InChIKey is OGAAVFJBPHTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S2/c8-7(13)10-5-1-3-6(4-2-5)14(9,11)12/h1-4H,(H3,8,10,13)(H2,9,11,12).
What are the key properties of (4-sulfamoylphenyl)thiourea?
(4-sulfamoylphenyl)thiourea has a molecular weight of 231.30 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 716519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).