Basic information
- CAS
4617-17-8- Standard SMILES
N#CSCCOCCSC#N- InChIKey
LWQHJELPBKVFOH-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.00780523
Names & identifiers
- Preferred name
- C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate
- IUPAC
- 2-(2-thiocyanatoethoxy)ethyl thiocyanate
- English name
- thiocyanic acid, diester with diethylene glycol
- Molecular formula
- C6H8N2OS2
- Molecular weight
- 188.26
Names & synonyms
Lethane A70Bis(2-thiocyanatoethyl) ether4617-17-8Thiocyanic acid, oxydi-2,1-ethanediyl esterThiocyanic acid, diester with diethylene glycolDithiocyano diethyl ether, beta,beta'-908TML09TJNSC-1195RefChem:1080537C,C'-(Oxydi-2,1-ethanediyl) dithiocyanateLethane a-70Thiocyanic acid, oxydiethylene ester
Show more names
Thiocyanic acid, C,C'-(oxydi-2,1-ethanediyl) ester
Oxydi-2,1-ethanediyl thiocyanatebeta,beta'-Dithiocyano diethyl etherCaswell No. 4092-(2-thiocyanatoethoxy)ethyl thiocyanateEPA Pesticide Chemical Code 010001BRN 1762322UNII-908TML09TJAI3-03999
Database identifiers
- CAS
4617-17-8- PubChem CID
- 62544
- DTXSID
DTXSID9042251- UNII
- 908TML09TJ
- Nikkaji
- J3.166.627I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 200 · 200-202 °C(Press: 2.5 Torr)
- Density
- 1.325 · 1.325 (estimate)
- refractive index
- 1.649 · 1.6490 (estimate)
- FDA UNII
- 908 TML09TJ · 908TML09TJ
- EPA Substance Registry System
- -2 · Oxydi-2,1-ethanediyl thiocyanate (4617-17-8)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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