Basic information
- CAS
5902-92-1- Standard SMILES
CCCCOC(=S)SCc1ccccc1- InChIKey
XJXMGBCUWITJAQ-UHFFFAOYSA-N- Molecular formula
- C12H16OS2
- Average molar mass
- 240.4 g/mol
- Monoisotopic mass
- 240.06425748
Names & identifiers
- Preferred name
- O-n-Butyl-S-benzyl-xanthate
- IUPAC
- O-butyl benzylsulfanylmethanethioate
- English name
- Carbonodithioic acid O-butyl S-(phenylmethyl) ester
- Molecular formula
- C12H16OS2
- Molecular weight
- 240.38
Names & synonyms
O-n-Butyl-S-benzyl-xanthate5902-92-1O-n-Butyl benzylxanthateThompson-hayward T-H103-MThioanhydride of butyl xanthogenic acidO-Butyl S-(phenylmethyl)carbonodithioateTH 103-MXanthic acid, butyl-, benzyl esterENT 27,190AI3-27190Carbonodithioic acid, O-butyl S-(phenylmethyl) esterCARBONIC ACID, DITHIO-, S-BENZYL O-BUTYL ESTER
Show more names
TH-103MS-benzyl O-butyl xanthate
DTXSID10207780RefChem:366495DTXCID60130271Carbonodithioic acid, O-butyl S-(phenylmethyl) ester (9CI)O-butyl benzylsulfanylmethanethioatecarbonodithioic acid o-butyl s-(phenylmethyl) esterS-Benzyl O-butyl carbonodithioate
Database identifiers
- CAS
5902-92-1- PubChem CID
- 22192
- DTXSID
DTXSID10207780- Nikkaji
- J55.528B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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