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125158-07-8 | 1,3,2-Oxathiaphospholane, 2-phenoxy-, 2-sulfide
CAS No: 125158-07-8 Catalog No: AG000N96 MDL No:
Product Description
Catalog Number:
AG000N96
Chemical Name:
1,3,2-Oxathiaphospholane, 2-phenoxy-, 2-sulfide
CAS Number:
125158-07-8
Molecular Formula:
C8H9O2PS2
Molecular Weight:
232.2596
IUPAC Name:
2-phenoxy-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
InChI:
InChI=1S/C8H9O2PS2/c12-11(9-6-7-13-11)10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
DABLPWSDUJNDJP-UHFFFAOYSA-N
SMILES:
S=P1(OCCS1)Oc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.978g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.252g/mol
Monoisotopic Mass:
231.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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