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

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

COA

Grade & Purity:

≥96%

Cas Number: 868-84-8
Molecular Weight: 122.21
PubChem CID: 313474

In stock

Item Number

S345880

Grouped product items
SKU	Size	Availability	Price
S345880-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
S345880-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
S345880-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90

a sulfur containing compound

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

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 Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic carbonic acids and derivatives
Alternative Parents	Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carbonic acid derivative - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

A-431 (6446 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	bis(methylsulfanyl)methanone
INCHI	InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
InChIKey	IUXMJLLWUTWQFX-UHFFFAOYSA-N
Smiles	CSC(=O)SC
Isomeric SMILES	CSC(=O)SC
PubChem CID	313474
UN Number	3334
Packing Group	III
Molecular Weight	122.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.55
Flash Point(°C)	62 °C
Boil Point(°C)	169℃
Molecular Weight	122.210 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	121.986 Da
Monoisotopic Mass	121.986 Da
Topological Polar Surface Area	67.700 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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