S,S′-Dimethyl dithiocarbonate - ≥96% , CAS No.868-84-8

CAS: 868-84-8 Cat. No.: S345880 Formula: C3H6S2O Molecular Weight: 122.21 EC Number: 617-931-9 PubChem CID: 313474
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
S,S inverted exclamation marka-Dimethyl dithiocarbonate | S,S'-Dimethyl dithiocarbonate | S,S-Dimethyl dithiocarbonate | S,S-dimethyl carbonodithioate | starbld0016678 | Carbonodithioic acid,S-dimethyl ester | EC 617-931-9 | 4H-1-Benzopyran-4-one, 2,3-dih
Storage
Room temperature
Shipped In
Normal
Size
USA
Germany (EU)*
Price
Qty
1g
S345880-1g
Made to order · 8–12 wks
$35.90
5g
S345880-5g
Made to order · 8–12 wks
$119.90
25g
S345880-25g
Made to order · 8–12 wks
$399.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
S,S inverted exclamation marka-Dimethyl dithiocarbonate | S,S'-Dimethyl dithiocarbonate | S,S-Dimethyl dithiocarbonate | S,S-dimethyl carbonodithioate | starbld0016678 | Carbonodithioic acid,S-dimethyl ester | EC 617-931-9 | 4H-1-Benzopyran-4-one, 2,3-dih
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Canonical SmilesCSC(=O)SC
IUPAC Namebis(methylsulfanyl)methanone
InChIKeyIUXMJLLWUTWQFX-UHFFFAOYSA-N
INCHI1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
Isomeric SMILES CSC(=O)SC
PubChem CID 313474
UN Number 3334
Packing Group III
Molecular Weight 122.21

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
SuperclassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganic carbonic acids and derivatives
Alternative Parents Sulfenyl compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carbonic acid derivative - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
A-431 (6446 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:
Chemical and Physical Properties
Refractive Index1.55
Flash Point(°C)62 °C
Boil Point(°C)169℃
Molecular Weight122.210 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass121.986 Da
Monoisotopic Mass121.986 Da
Topological Polar Surface Area67.700 Ų
Heavy Atom Count6
Formal Charge0
Complexity46.800
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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