2-acetyl-3-amino-5-phenylthiophene - ≥95% , CAS No.105707-24-2

CAS: 105707-24-2 Cat. No.: B301110 Molecular Weight: 217.29 EC Number: 672-981-9
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
TS-03114 | 1-(3-amino-5-phenylthiophen-2-yl)ethan-1-one | 2-Acetyl-3-Amino-5-Phenylthiophene | AKOS005203485 | FT-0610948 | 1-(3-azanyl-5-phenyl-thiophen-2-yl)ethanone | 1-(3-amino-5-phenyl-2-thiophenyl)ethanone | SMR000457917 | A801306 | QAHOJPMILKVSAA-U
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B301110-100mg
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$55.90

$69.90
Save $14.00 (20.03%)
500mg
B301110-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$205.90

$241.90
Save $36.00 (14.88%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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
TS-03114 | 1-(3-amino-5-phenylthiophen-2-yl)ethan-1-one | 2-Acetyl-3-Amino-5-Phenylthiophene | AKOS005203485 | FT-0610948 | 1-(3-azanyl-5-phenyl-thiophen-2-yl)ethanone | 1-(3-amino-5-phenyl-2-thiophenyl)ethanone | SMR000457917 | A801306 | QAHOJPMILKVSAA-U
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesCC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
IUPAC Name1-(3-amino-5-phenylthiophen-2-yl)ethanone
InChIKeyQAHOJPMILKVSAA-UHFFFAOYSA-N
INCHI1S/C12H11NOS/c1-8(14)12-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3
Isomeric SMILES CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
Molecular Weight 217.29
Reaxy-Rn 7760502
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7760502&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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones
Direct ParentAryl alkyl ketones
Alternative Parents 2,3,5-trisubstituted thiophenes  Benzene and substituted derivatives  Aminothiophenes  Vinylogous amides  Heteroaromatic compounds  Primary amines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Aminothiophene - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXFP1 Tchem Relaxin receptor 1 (6345 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 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:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
H2103136Certificate of AnalysisMay 09, 2025 B301110
Chemical and Physical Properties
Molecular Weight217.290 g/mol
XLogP33.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass217.056 Da
Monoisotopic Mass217.056 Da
Topological Polar Surface Area71.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity238.000
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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