(4-aminophenyl)sulfonylthiourea

C7H9N3O2S2 — CID 3000579

💊View drug profile → sulfathiourea
IUPAC(4-aminophenyl)sulfonylthiourea
SMILESNC(=S)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)
InChIKeyUEMLYRZWLVXWRU-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.21
Rot. Bonds2

About (4-aminophenyl)sulfonylthiourea

(4-aminophenyl)sulfonylthiourea (PubChem CID 3000579) has the molecular formula C7H9N3O2S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-aminophenyl)sulfonylthiourea.

Molecular Properties

Compound Name(4-aminophenyl)sulfonylthiourea
PubChem CID3000579
Molecular FormulaC7H9N3O2S2
Molecular Weight231.30 g/mol
Exact Mass231.01
IUPAC Name(4-aminophenyl)sulfonylthiourea
SMILESNC(=S)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)
InChIKeyUEMLYRZWLVXWRU-UHFFFAOYSA-N
XLogP-0.21
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfanilamide
CID 5333
Sulfacetamide
CID 5320
Sulfanilic acid
CID 8479
Sulfaguanidine
CID 5324
Sulfacarbamide
CID 11033
Sodium sulfanilate
CID 23664644
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfabenz
CID 31390
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
Sodium Sulfacetamide
CID 4022878
4-Amino-3-fluorobenzene-1-sulfonamide
CID 4687472

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonylthiourea?
The IUPAC name of (4-aminophenyl)sulfonylthiourea (CID 3000579) is (4-aminophenyl)sulfonylthiourea.
What is the SMILES notation for (4-aminophenyl)sulfonylthiourea?
The canonical SMILES for (4-aminophenyl)sulfonylthiourea is NC(=S)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)sulfonylthiourea?
The InChIKey is UEMLYRZWLVXWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13).
What are the key properties of (4-aminophenyl)sulfonylthiourea?
(4-aminophenyl)sulfonylthiourea has a molecular weight of 231.30 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonylthiourea is sourced from PubChem (CID 3000579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).