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14609-96-2 | Phosphonothioic acid, O,O-dipropyl ester
CAS No: 14609-96-2 Catalog No: AG001DO2 MDL No:
Product Description
Catalog Number:
AG001DO2
Chemical Name:
Phosphonothioic acid, O,O-dipropyl ester
CAS Number:
14609-96-2
Molecular Formula:
C6H14O2PS
Molecular Weight:
181.2129
IUPAC Name:
dipropoxy(sulfanylidene)phosphanium
InChI:
InChI=1S/C6H14O2PS/c1-3-5-7-9(10)8-6-4-2/h3-6H2,1-2H3/q+1
InChI Key:
LKPIGNBJNOZFOJ-UHFFFAOYSA-N
SMILES:
CCCOP(=S)OCCC
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.045g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.21g/mol
Monoisotopic Mass:
181.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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