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116393-11-4 | Phosphonotrithioic acid, (phenylmethyl)-, diethyl ester (9CI)
CAS No: 116393-11-4 Catalog No: AG000CDM MDL No:
Product Description
Catalog Number:
AG000CDM
Chemical Name:
Phosphonotrithioic acid, (phenylmethyl)-, diethyl ester (9CI)
CAS Number:
116393-11-4
Molecular Formula:
C11H17PS3
Molecular Weight:
276.4214
IUPAC Name:
benzyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C11H17PS3/c1-3-14-12(13,15-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI Key:
LPYOZNXLIRGFDL-UHFFFAOYSA-N
SMILES:
CCSP(=S)(Cc1ccccc1)SCC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.411g/mol
Monoisotopic Mass:
276.023g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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