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25923-97-1 | Phosphorodithioic acid, S-[(benzylthio)methyl] O,O-diethyl ester (6CI,8CI)
CAS No: 25923-97-1 Catalog No: AG002R2T MDL No:
Product Description
Catalog Number:
AG002R2T
Chemical Name:
Phosphorodithioic acid, S-[(benzylthio)methyl] O,O-diethyl ester (6CI,8CI)
CAS Number:
25923-97-1
Molecular Formula:
C12H19O2PS3
Molecular Weight:
322.4468
IUPAC Name:
benzylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C12H19O2PS3/c1-3-13-15(16,14-4-2)18-11-17-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChI Key:
REAKGZQBPMRQGU-UHFFFAOYSA-N
SMILES:
CCOP(=S)(OCC)SCSCc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.436g/mol
Monoisotopic Mass:
322.028g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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