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13286-37-8 | Phosphorodithioic acid, O,O-diethyl S-(phenylmethyl) ester
CAS No: 13286-37-8 Catalog No: AG0011A4 MDL No:
Product Description
Catalog Number:
AG0011A4
Chemical Name:
Phosphorodithioic acid, O,O-diethyl S-(phenylmethyl) ester
CAS Number:
13286-37-8
Molecular Formula:
C11H17O2PS2
Molecular Weight:
276.3552
IUPAC Name:
benzylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C11H17O2PS2/c1-3-12-14(15,13-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI Key:
LDYLVLLDIQXZFR-UHFFFAOYSA-N
SMILES:
CCOP(=S)(OCC)SCc1ccccc1
NSC Number:
171180
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.349g/mol
Monoisotopic Mass:
276.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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