Dimethyl 2,2'-dithiobisbenzoate

Modify Date: 2026-08-13 18:58:38

Dimethyl 2,2'-dithiobisbenzoate Structure
Dimethyl 2,2'-dithiobisbenzoate structure
Common Name Dimethyl 2,2'-dithiobisbenzoate
CAS Number 5459-63-2 Molecular Weight 334.41000
Density 1.34g/cm3 Boiling Point 443.5ºC at 760mmHg
Molecular Formula C16H14O4S2 Melting Point 131-134℃
MSDS N/A Flash Point 215ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.34g/cm3
Boiling Point 443.5ºC at 760mmHg
Melting Point 131-134℃
Molecular Formula C16H14O4S2
Molecular Weight 334.41000
Flash Point 215ºC
Exact Mass 334.03300
PSA 103.20000
LogP 4.05920
Index of Refraction 1.639
InChIKey NECMWXVJIUGCSW-UHFFFAOYSA-N
SMILES COC(=O)c1ccccc1SSc1ccccc1C(=O)OC

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Methyl 2-{[2-(methoxycarbonyl)phenyl]disulfanyl}benzoate
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Methyl 2-{[2-(methoxycarbonyl)phenyl]disulfanyl}benzoate
Ingredient name:
CAS number:5459-63-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C16H14O4S2
Molecular weight:334.4

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
HS Code 2930909090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Dimethyl 2,2'-dithiobisbenzoateBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of HIV-1 replication in human T-cell by using XTT assay; Inactive
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL693364
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: HIV Enzyme Data
Source: NIAID
Target: N/A
External Id: HIV Enzyme Data
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Inhibition of HIV-1 replication in a proliferating human T-cell line assayed using an...
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL697213
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
Total 6, Current Page 1 of 1
1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Methyl 2-{[2-(methoxycarbonyl)phenyl]disulfanyl}benzoate
bis(2-methoxycarbonylphenyl) disulfide
methyl 2-(methoxycarbonylphenyl)disulfanylbenzoate
2-carbomethoxyphenyl disulfide
Dimethyl-2,2'-Dithiosalicylate
bis(2-methoxycarbonylphenyl)sulfide
di-o-carbomethoxyphenyl disulfide
methyl 2,2'-dithiosalicylate
Dimethyl 2,2'-dithiobisbenzoate
methyl 2-{[2-(methoxycarbonyl)phenyl]dithio}benzoate
Dimethyl 2,2'-dithiodibenzoate

 Dimethyl 2,2'-dithiobisbenzoate | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: SMILES notation of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is COC(=O)c1ccccc1SSc1ccccc1C(=O)OC.
Q: What is the CAS number of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: CAS number of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is 5459-63-2.
Q: What is the polar surface area (PSA) of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: Polar surface area (PSA) of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is 103.20000.
Q: What is the molecular formula of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: Molecular formula of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is C16H14O4S2.
Q: What is the LogP of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: LogP of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is 4.05920.
Q: What is the melting point of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: Melting point of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is 131-134℃.
Q: What is the InChIKey of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: InChIKey of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is NECMWXVJIUGCSW-UHFFFAOYSA-N.
Q: What is the boiling point of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: Boiling point of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is 443.5ºC at 760mmHg.
Q: What is the English name of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: The English name of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate.
Q: What is the molecular weight of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate?
A: Molecular weight of methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate is 334.41000.

 Dimethyl 2,2'-dithiobisbenzoatefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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