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Home > Other Heterocycles > 85473-44-5
85473-44-5 | 4-ethyl-2-methyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane 1-sulfide
CAS No: 85473-44-5 Catalog No: AG004JQW MDL No:
Product Description
Catalog Number:
AG004JQW
Chemical Name:
4-ethyl-2-methyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane 1-sulfide
CAS Number:
85473-44-5
Molecular Formula:
C7H16N3PS
Molecular Weight:
205.2608
IUPAC Name:
4-ethyl-2-methyl-1-sulfanylidene-2,6,7-triaza-1λ5-phosphabicyclo[2.2.2]octane
InChI:
InChI=1S/C7H16N3PS/c1-3-7-4-8-11(12,9-5-7)10(2)6-7/h3-6H2,1-2H3,(H2,8,9,12)
InChI Key:
DRMAXVASZJOCBR-UHFFFAOYSA-N
SMILES:
CCC12CNP(=S)(NC1)N(C2)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.26g/mol
Monoisotopic Mass:
205.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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