Basic information
- CAS
56348-40-4- Standard SMILES
CSCCCCCCSC- InChIKey
YRPUVJJVONDEFR-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499292
Names & identifiers
- Preferred name
- 2,9-Dithiadecane
- IUPAC
- 1,6-bis(methylsulfanyl)hexane
- English name
- 2,9-DITHIADECANE
- Molecular formula
- C8H18S2
- Molecular weight
- 178.36
Names & synonyms
2,9-Dithiadecane56348-40-41,6-Bis(methylsulfanyl)hexaneHexane, 1,6-bis(methylthio)-1,6-bis(methylthio)hexaneNSC-163507UNII-Z0476IS34XZ0476IS34XNSC163507Hexane,6-bis(methylthio)-SCHEMBL7155535DTXSID8022296
Show more names
2,9-DITHIADECANE 97%
1,6-Bis(methylsulfanyl)hexane #YRPUVJJVONDEFR-UHFFFAOYSA-NAKOS024319066DB-052897Q27294822
Database identifiers
- CAS
56348-40-4- PubChem CID
- 294646
- DTXSID
DTXSID8022296- UNII
- Z0476IS34X
- Nikkaji
- J542.135G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.2
Physicochemical properties
- Boiling point
- 128 °C · 128°C 12mm
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- FDA UNII
- 476 IS34X · Z0476IS34X
- Safety Statements
- 23 · 23-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 23-24/25
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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