Basic information
- CAS
2444-49-7- Standard SMILES
C=CCSSSSCC=C- InChIKey
RMKCQUWJDRTEHE-UHFFFAOYSA-N- Molecular formula
- C6H10S4
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 209.96653501
Overview
Diallyltetrasulfane is an organosulfur compound.
Names & identifiers
- Preferred name
- Diallyl Tetrasulfide
- IUPAC
- 3-(prop-2-enyltetrasulfanyl)prop-1-ene
- English name
- diallyl tetrasulphide
- Molecular formula
- C6H10S4
- Molecular weight
- 210.4
Names & synonyms
Diallyl tetrasulfide2444-49-7Diallyl tetrasulphideTetrasulfide, di-2-propenyl3-(prop-2-enyltetrasulfanyl)prop-1-eneDiallyltetrasulfideWRP12IW1D7DTXSID70179196FEMA NO. 3533, TETRASULFIDERefChem:586177DTXCID00101687219-485-7
Show more names
ICD-1585Fema no. 3533Einecs 219-485-7Diallyl pertetrasulfideBis(allylthio) persulfideDiallyl Tetrasulfide (>85%)Tetrasulfide, di-2-propen-1-yl
Dially tetrasulfideBIS(PROP-2-EN-1-YL)TETRASULFANEDi-2-propenyl tetrasulfide3-(allyltetrasulfanyl)prop-1-eneUNII-WRP12IW1D7allyl tetrasulfideDiallyltetrasulfaneC6H10S4
Database identifiers
- CAS
2444-49-7- PubChem CID
- 75552
- DTXSID
DTXSID70179196- ChEMBL
CHEMBL1947232- ChEBI
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.7
Experimental & physicochemical properties
Boiling Point279.00 to 280.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 45 °C · >45 °C(Press: 0.001 Torr)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5mg/ml; Ethanol: 30 mg/ml
- form
- An oil
- Odor
- 0.01 % · at 0.01 % in propylene glycol. strong garlic onion
- Odor Type
- sulfurous
- LogP
- 5.62 · 5.62
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 12 IW1D7 · WRP12IW1D7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationTetrasulfide, di-2-propenyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesDiallyl Tetrasulfide is a mitotic inhibitor and apoptosis inducers. An anti-carcinogenic agent.Also, it is derived from Allyl Bromide (A549655), which is used as a reagent in the synthesis of Resveratrol derivatives. Resveratrol (R150000) is a minor constitutent of wine, correlated with serum lipid reduction and inhibition of platelet aggregation. Resveratrol is a specific inhibitor of COX-1, and it also inhibits the hydroperoxidase activity of COX-1. It has been shown to inhibit events associated with tumor initiation, promotion and progression.
Suppliers19 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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