Basic information
- CAS
333-43-7- Standard SMILES
CCOCCP(=S)(S)c1ccc(C)cc1- InChIKey
XJPQQYILDIYJHE-UHFFFAOYSA-N- Molecular formula
- C11H17OPS2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.04584451
Names & identifiers
- Preferred name
- AI 3-25713
- IUPAC
- 2-ethoxyethyl-(4-methylphenyl)-sulfanyl-sulfanylidene-λ5-phosphane
Names & synonyms
RefChem:1076236AI 3-25713Stauffer N-2788(2-ethoxyethyl)(4-methylphenyl)phosphinodithioic acidO-Ethyl S-p-tolyl ethylphosphonodithioateBAYER 38156BAY 38156ENT 25713BRN 2647740AI3-25713N 2788S 4706
Show more names
Phosphonodithioic acid, ethyl-, O-ethyl S-(p-tolyl) esterXJPQQYILDIYJHE-UHFFFAOYSA-NO-Ethyl-S-p-tolylester kyseliny ethyldithiofosfonove [Czech]p-Toluenethiol, S-ester with O-ethyl ethylphosphonodithioateNS00126630O-Ethyl-S-p-tolylester kyseliny ethyldithiofosfonove
Database identifiers
- CAS
333-43-7- PubChem CID
- 9529
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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