1,1,3-Tris(phenylthio)-1-propene
Basic information
- CAS
102070-37-1- Standard SMILES
C(CSc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1- InChIKey
XBMCYJDHTDKVJI-UHFFFAOYSA-N- Molecular formula
- C21H18S3
- Average molar mass
- 366.6 g/mol
- Monoisotopic mass
- 366.05706409
Names & identifiers
- Preferred name
- 1,1,3-Tris(phenylthio)-1-propene
- IUPAC
- 1,3-bis(phenylsulfanyl)prop-1-enylsulfanylbenzene
- English name
- 1,1,3-Tris(phenylthio)-1-propene
- Molecular formula
- C21H18S3
- Molecular weight
- 366.56
Names & synonyms
1,1,3-Tris(phenylthio)-1-propene102070-37-1DTXSID90398766RefChem:213359DTXCID20349625631-315-71,3-bis(phenylsulfanyl)prop-1-enylsulfanylbenzeneSCHEMBL19318441,1',1''-[Prop-1-ene-1,1,3-triyltris(sulfanediyl)]tribenzene1 1 3-TRIS(PHENYLTHIO)-1-PROPENE 98%1,1-bis(phenylthio)-3-phenylthio-1-propeneBenzene, 1,1',1''-[2-propen-1-yl-3-ylidenetris(thio)]tris- (9CI)
Database identifiers
- CAS
102070-37-1- PubChem CID
- 4048974
- DTXSID
DTXSID90398766- EC Number
- 631-315-7
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 200 °C0.1 · 200 °C0.1 mm Hg(lit.)
- Density
- 1.188 g/mL · 1.188 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.6704(lit.)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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