2-(Methylthio)-4,5-dihydro-1H-imidazole - ≥97% , CAS No.20112-79-2

CAS: 20112-79-2 Cat. No.: D694970 Molecular Weight: 116.19 PubChem CID: 88369
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2-(Methylthio)-2-Imidazoline
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
50mg
D694970-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$18.90

$19.90
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250mg
D694970-250mg
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$58.90

$61.90
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1g
D694970-1g
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$145.90

$152.90
Save $7.00 (4.58%)
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Why this grade

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

🌡

Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.

📚

Literature proof

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

Specifications

Synonyms
2-(Methylthio)-2-Imidazoline
Specifications & Purity
≥97%
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Product Properties
ALogP0.2
Names and Identifiers
Canonical SmilesCSC1=NCCN1
IUPAC Name2-methylsulfanyl-4,5-dihydro-1H-imidazole
InChIKeyMTIMDGQILFWMJI-UHFFFAOYSA-N
INCHI1S/C4H8N2S/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
Isomeric SMILES CSC1=NCCN1
PubChem CID 88369
Molecular Weight 116.19

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
SuperclassOrganoheterocyclic compounds
ClassAzolines
SubclassImidazolines
Intermediate Tree Nodes Not available
Direct ParentImidazolines
Alternative Parents Isothioureas  Sulfenyl compounds  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents 2-imidazoline - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond.
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:
Chemical and Physical Properties
Sensitivitylight sensitive
Molecular Weight116.190 g/mol
XLogP30.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass116.041 Da
Monoisotopic Mass116.041 Da
Topological Polar Surface Area49.700 Ų
Heavy Atom Count7
Formal Charge0
Complexity89.700
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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