N-[(4-sulfamoylphenyl)carbamothioyl]benzamide , CAS No.92166-72-8

CAS: 92166-72-8 Cat. No.: N668509 Molecular Weight: 335.4
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Synonyms
N-[(4-sulfamoylphenyl)carbamothioyl]benzamide | CBMicro_006574 | Oprea1_709810 | SMSF0005733 | BDBM50005003 | STK863345 | AKOS000521431 | CB08874 | BIM-0006522.P001 | 4-{[(BENZOYLAMINO)CARBOTHIOYL]AMINO}-1-BENZENESULFONAMIDE
Storage
Room temperature
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Size
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Price
Qty
1mg
N668509-1mg
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$571.90

$999.90
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5mg
N668509-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-[(4-sulfamoylphenyl)carbamothioyl]benzamide | CBMicro_006574 | Oprea1_709810 | SMSF0005733 | BDBM50005003 | STK863345 | AKOS000521431 | CB08874 | BIM-0006522.P001 | 4-{[(BENZOYLAMINO)CARBOTHIOYL]AMINO}-1-BENZENESULFONAMIDE
Storage
Room temperature
Product Properties
ALogP2.6
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
IUPAC NameN-[(4-sulfamoylphenyl)carbamothioyl]benzamide
InChIKeyOFLIERYFTMBNIX-UHFFFAOYSA-N
INCHI1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-14(21)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,21)
Isomeric SMILES C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
Molecular Weight 335.4
Reaxy-Rn 3435738
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3435738&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassN-phenylthioureas
Intermediate Tree Nodes Not available
Direct ParentN-acyl-phenylthioureas
Alternative Parents Benzenesulfonamides  Benzoic acids and derivatives  Benzenesulfonyl compounds  Benzoyl derivatives  Organosulfonamides  Aminosulfonyl compounds  Thioureas  Carboxylic acids and derivatives  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N-acyl-phenylthiourea - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiourea - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA1 Tclin Carbonic anhydrase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight335.400 g/mol
XLogP32.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass335.04 Da
Monoisotopic Mass335.04 Da
Topological Polar Surface Area142.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity502.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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