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Home > Other Heterocycles > 70636-86-1
70636-86-1 | 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-, 1-sulfide
CAS No: 70636-86-1 Catalog No: AG005TH3 MDL No:
Product Description
Catalog Number:
AG005TH3
Chemical Name:
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-, 1-sulfide
CAS Number:
70636-86-1
Molecular Formula:
C8H15O3PS
Molecular Weight:
222.2417
IUPAC Name:
4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
InChI:
InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3
InChI Key:
VTBHBNXGFPTBJL-UHFFFAOYSA-N
SMILES:
CC(C12COP(=S)(OC1)OC2)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.239g/mol
Monoisotopic Mass:
222.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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