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Triethylphosphine sulphide , CAS No.597-51-3
Basic Description
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organophosphorus compounds
Class
Organothiophosphorus compounds
Subclass
Phosphine sulfides
Intermediate Tree Nodes
Not available
Direct Parent
Phosphine sulfides
Alternative Parents
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Phosphine sulfide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as phosphine sulfides. These are compounds having the general formula R3P=S <=> R3P+S-.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
triethyl(sulfanylidene)-λ5-phosphane
INCHI
InChI=1S/C6H15PS/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3
InChIKey
WTNQHMJTIHJURG-UHFFFAOYSA-N
Smiles
CCP(=S)(CC)CC
Isomeric SMILES
CCP(=S)(CC)CC
PubChem CID
301283
Molecular Weight
150.22
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
94° C
Molecular Weight
150.220 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
150.063 Da
Monoisotopic Mass
150.063 Da
Topological Polar Surface Area
32.100 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
79.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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