1,4,7-Trithiacyclodecane
Basic information
- CAS
111381-84-1- Standard SMILES
C1CSCCSCCSC1- InChIKey
OSUBRKJCBHXEAK-UHFFFAOYSA-N- Molecular formula
- C7H14S3
- Average molar mass
- 194.4 g/mol
- Monoisotopic mass
- 194.02576397
Names & identifiers
- Preferred name
- 1,4,7-Trithiacyclodecane
- IUPAC
- 1,4,7-trithiecane
- English name
- 1,4,7-Trithiecane
- Molecular formula
- C7H14S3
- Molecular weight
- 194.38
Names & synonyms
1,4,7-trithiacyclodecaneRefChem:415828631-216-91,4,7-trithiecane111381-84-1SCHEMBL6180707DTXSID10357436
Database identifiers
- CAS
111381-84-1- PubChem CID
- 853479
- DTXSID
DTXSID10357436- EC Number
- 631-216-9
- Nikkaji
- J465.278I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 67.3
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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