4,5-Bis(methylthio)-1,3-dithiole-2-thione - ≥98% , CAS No.49638-64-4

Name: 4,5-Bis(methylthio)-1,3-dithiole-2-thione - ≥98% , CAS No.49638-64-4
Brand: Aladdin Scientific
SKU: B152612
Availability: InStock

CAS: 49638-64-4 Cat. No.: B152612 Molecular Weight: 226.40

COA

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4,5-Bis(methylthio)-1,3-dithiole-2-thione - ≥98% CAS No(49638-64-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

NSC627450 | NSC-627450 | AKOS001016929 | MFCD00137888 | Z56791785 | B1778 | FT-0617143 | NCGC00175871-01 | NCI60_008740 | 4,5-Bis(methylthio)-1,3-dithiol-2-thione | 4,5-Bis(methylsulfanyl)-1,3-dithiole-2-thione | BRD-K62730985-001-01-9 | DTXSID30327035 |

Storage

Protected from light,Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Protected from light,Room temperature,Argon charged,Cool Ships Normal 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.

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Literature proof

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

Specifications

Synonyms

NSC627450 | NSC-627450 | AKOS001016929 | MFCD00137888 | Z56791785 | B1778 | FT-0617143 | NCGC00175871-01 | NCI60_008740 | 4, 5-Bis(methylthio)-1, 3-dithiol-2-thione | 4, 5-Bis(methylsulfanyl)-1, 3-dithiole-2-thione | BRD-K62730985-001-01-9 | DTXSID30327035 |

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Canonical Smiles	CSC1=C(SC(=S)S1)SC
IUPAC Name	4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione
InChIKey	HOFVXSUZSDYZSA-UHFFFAOYSA-N
INCHI	1S/C5H6S5/c1-7-3-4(8-2)10-5(6)9-3/h1-2H3
Isomeric SMILES	CSC1=C(SC(=S)S1)SC
Molecular Weight	226.40
Reaxy-Rn	124013
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124013&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

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Alkylarylthioethers Heteroaromatic compounds 1,3-dithioles Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Dithiole - 1,3-dithiole - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This 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
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Sensitivity	Light Sensitive；Air sensitive
Melt Point(°C)	102 °C
Molecular Weight	226.400 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	225.907 Da
Monoisotopic Mass	225.907 Da
Topological Polar Surface Area	133.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164.000
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