Basic information
- CAS
3074-80-4- Standard SMILES
CCCCOC(=S)SCCSC(=S)OCCCC- InChIKey
DBNSTTYXDUJLPB-UHFFFAOYSA-N- Molecular formula
- C12H22O2S4
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.05026463
Names & identifiers
- Preferred name
- Ethylene bis(butylxanthate)
- IUPAC
- O-butyl 2-butoxycarbothioylsulfanylethylsulfanylmethanethioate
- English name
- 1,1'-(Ethylenebisthio)bis(thioformic acid O-butyl) ester
- Molecular formula
- C12H22O2S4
- Molecular weight
- 326.56
Names & synonyms
Ethylene bis(butylxanthate)LZ 6/9TXanthic acid, butyl-, ethylene esterP4J5WG8RD5NSC 220090BRN 1795954Xantic acid, ethylenebis-, O-butyl esterUNII-P4J5WG8RD5NSC-220090CARBONIC ACID, ETHYLENEBIS(DITHIO-, O,O'-DIBUTYL ESTERCarbonodithioic acid, S,S'-1,2-ethanediyl O,O'-dibutyl esterDTXSID50184768
Show more names
1,1'-(Ethylenebisthio)bis(thioformic acid O-butyl) ester
4-03-00-00412 (Beilstein Handbook Reference)ETHYLENE BIS(BUTYL XANTHATE)RefChem:139123DTXCID90107259Carbonodithioic acid, S,S'-1,2-ethanediyl O,O'-dibutyl ester (9CI)3074-80-4Xantic acid, o-butyl esterWLN: SUYO4&S2SYUS&O4
Database identifiers
- CAS
3074-80-4- PubChem CID
- 18315
- DTXSID
DTXSID50184768- UNII
- P4J5WG8RD5
- Nikkaji
- J49.105E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- FDA UNII
- 4 J5WG8RD5 · P4J5WG8RD5
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 180mg/kg
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
- Toxicity
- LD50 intravenous in mouse: 180mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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