N,N-Dimethylthioacetamide - ≥97% , CAS No.631-67-4

CAS: 631-67-4 Cat. No.: N140450 Molecular Weight: 103.19 EC Number: 676-821-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
BRN 1737685 | InChI=1/C4H9NS/c1-4(6)5(2)3/h1-3H | NN-Dimethylthioacetamide | 4-04-00-00182 (Beilstein Handbook Reference) | MFCD00022178 | AKOS006230197 | SCHEMBL434706 | N,N-Dimethylethanethioamide | Dimethylthioacetamid [German] | Dimethylthioacetamide
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
N140450-1g
9
$38.90
5g
N140450-5g
2
$133.90
25g
N140450-25g
1
$598.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application

N,N-Dimethylthioacetamide is used as pharmaceutical intermediates

Specifications

Synonyms
BRN 1737685 | InChI=1/C4H9NS/c1-4(6)5(2)3/h1-3H | NN-Dimethylthioacetamide | 4-04-00-00182 (Beilstein Handbook Reference) | MFCD00022178 | AKOS006230197 | SCHEMBL434706 | N, N-Dimethylethanethioamide | Dimethylthioacetamid [German] | Dimethylthioacetamide
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488181668
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181668
Canonical SmilesCC(=S)N(C)C
IUPAC NameN,N-dimethylethanethioamide
InChIKeyLKNQXZAHNDFIQY-UHFFFAOYSA-N
INCHI1S/C4H9NS/c1-4(6)5(2)3/h1-3H3
Isomeric SMILES CC(=S)N(C)C
Molecular Weight 103.19
Reaxy-Rn 1737685
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737685&ln=

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
ClassThioamides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThioamides
Alternative Parents Thiocarboxylic acid amides  Thiocarbonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

5 results found

Lot NumberCertificate TypeDateItem
E2622092Certificate of AnalysisMay 25, 2026 N140450
K2112070Certificate of AnalysisAug 13, 2025 N140450
K2112607Certificate of AnalysisAug 13, 2025 N140450
E1716028Certificate of AnalysisJan 07, 2025 N140450
D2323510Certificate of AnalysisJul 31, 2021 N140450
Chemical and Physical Properties
Boil Point(°C)125-127°/22mm
Melt Point(°C)72-75°C
Molecular Weight103.190 g/mol
XLogP30.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass103.046 Da
Monoisotopic Mass103.046 Da
Topological Polar Surface Area35.300 Ų
Heavy Atom Count6
Formal Charge0
Complexity58.600
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
Citations of This Product
References
1. Chenzhe Xu, Zheng Zhang, Suicai Zhang, Haonan Si, Shuangfei Ma, Wenqiang Fan, Zhaozhao Xiong, Qingliang Liao, Abdul Sattar, Zhuo Kang, Yue Zhang.  (2021)  Manipulation of Perovskite Crystallization Kinetics via Lewis Base Additives.  ADVANCED FUNCTIONAL MATERIALS,  31  (13): (2009425).  [PMID:] [10.1002/adfm.202009425]
Solution Calculators
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