3-Phenylthiophene - ≥95% , CAS No.2404-87-7

CAS: 2404-87-7 Cat. No.: P160670 Molecular Weight: 160.23 PubChem CID: 75473
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
BDBM12366 | MFCD00114997 | CHEBI:34392 | DTXSID90178787 | 3-Phenylthiophene | 3-phenyl-thiophene | AI-942/25034734 | HFB27SS2KM | Hydrocinnamic alcohol | ZDQZVKVIYAPRON-UHFFFAOYSA- | AMY22851 | beta-Anilinoethanol | AC-4933 | UNII-HFB27SS2KM | NORNICOTINE
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
P160670-250mg
3

$38.90

$58.90
Save $20.00 (33.96%)
1g
P160670-1g
3

$97.90

$146.90
Save $49.00 (33.36%)
5g
P160670-5g
3

$344.90

$517.90
Save $173.00 (33.40%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

Product Application:

Conducting polymer precursor.

Specifications

Synonyms
BDBM12366 | MFCD00114997 | CHEBI:34392 | DTXSID90178787 | 3-Phenylthiophene | 3-phenyl-thiophene | AI-942/25034734 | HFB27SS2KM | Hydrocinnamic alcohol | ZDQZVKVIYAPRON-UHFFFAOYSA- | AMY22851 | beta-Anilinoethanol | AC-4933 | UNII-HFB27SS2KM | NORNICOTINE
Specifications & Purity
≥95%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Pubchem Sid504754946
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754946
Canonical SmilesC1=CC=C(C=C1)C2=CSC=C2
IUPAC Name3-phenylthiophene
InChIKeyZDQZVKVIYAPRON-UHFFFAOYSA-N
INCHI1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H
Isomeric SMILES C1=CC=C(C=C1)C2=CSC=C2
PubChem CID 75473
Molecular Weight 160.23
Reaxy-Rn 2477

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Thiophenes  Heteroaromatic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 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.

3 results found

Lot NumberCertificate TypeDateItem
B23031106Certificate of AnalysisNov 08, 2022 P160670
B23031108Certificate of AnalysisNov 08, 2022 P160670
B23031477Certificate of AnalysisNov 08, 2022 P160670
Chemical and Physical Properties
Boil Point(°C)256°C(lit.)
Melt Point(°C)91 °C
Molecular Weight160.240 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass160.035 Da
Monoisotopic Mass160.035 Da
Topological Polar Surface Area28.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity116.000
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
Reviews

Customer Reviews

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