Trifluoromethylthio)aniline - ≥98% , CAS No.372-16-7

CAS: 372-16-7 Cat. No.: T122722 Molecular Weight: 193.19 EC Number: 206-744-4 PubChem CID: 123054
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
HMS1409M03 | 4-Aminophenyl trifluoromethyl sulphide | 7-methoxy-6-[3-(morpholin-4-yl)propoxy]-3,4-dihydroquinazolin-4-one | PS-8314 | BBL101877 | HMS2733D14 | T2775 | Enamine_005547 | F1902-0003 | AKOS001043875 | CK1161 | NCGC00246062-01 | SB67058 | STL55
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
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1g
T122722-1g
2
$9.90
5g
T122722-5g
4
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10g
T122722-10g
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$12.90

$19.90
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25g
T122722-25g
2

$28.90

$43.90
Save $15.00 (34.17%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal 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

4-(Trifluoromethylthio)aniline is a 4-substituted aniline derivative.

Specifications

Synonyms
HMS1409M03 | 4-Aminophenyl trifluoromethyl sulphide | 7-methoxy-6-[3-(morpholin-4-yl)propoxy]-3, 4-dihydroquinazolin-4-one | PS-8314 | BBL101877 | HMS2733D14 | T2775 | Enamine_005547 | F1902-0003 | AKOS001043875 | CK1161 | NCGC00246062-01 | SB67058 | STL55
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488187702
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187702
Canonical SmilesC1=CC(=CC=C1N)SC(F)(F)F
IUPAC Name4-(trifluoromethylsulfanyl)aniline
InChIKeyOHHHTUXVBNGOGI-UHFFFAOYSA-N
INCHI1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
Isomeric SMILES C1=CC(=CC=C1N)SC(F)(F)F
WGK Germany 3
PubChem CID 123054
Molecular Weight 193.19
Reaxy-Rn 2208859

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
SuperclassOrganosulfur compounds
ClassThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentAryl thioethers
Alternative Parents Thiophenol ethers  Aniline and substituted anilines  Alkylarylthioethers  Trihalomethanes  Sulfenyl compounds  Primary amines  Organopnictogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Sulfenyl compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organopnictogen compound - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 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
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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
H2119393Certificate of AnalysisJun 10, 2025 T122722
H2119394Certificate of AnalysisJun 10, 2025 T122722
E1718011Certificate of AnalysisJan 08, 2025 T122722
Chemical and Physical Properties
SensitivityAir sensitive
Refractive Index1.528
Flash Point(°F)224.6 °F
Flash Point(°C)106°C(224°F)
Boil Point(°C)102-103°C/8mm
Molecular Weight193.190 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass193.017 Da
Monoisotopic Mass193.017 Da
Topological Polar Surface Area51.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity140.000
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

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