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474670-64-9 | 1H-Pyrrolo[1,2-c]imidazol-1-one,3-ethylhexahydro-6-mercapto-3-methyl-,(3R,6S,7aS)-(9CI)
CAS No: 474670-64-9 Catalog No: AG00DY0B MDL No:
Product Description
Catalog Number:
AG00DY0B
Chemical Name:
1H-Pyrrolo[1,2-c]imidazol-1-one,3-ethylhexahydro-6-mercapto-3-methyl-,(3R,6S,7aS)-(9CI)
CAS Number:
474670-64-9
IUPAC Name:
(3R,6S,7aS)-3-ethyl-3-methyl-6-sulfanyl-5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazol-1-one
InChI:
InChI=1S/C9H16N2OS/c1-3-9(2)10-8(12)7-4-6(13)5-11(7)9/h6-7,13H,3-5H2,1-2H3,(H,10,12)/t6-,7-,9+/m0/s1
InChI Key:
KFRZQBJPKINLNJ-ACLDMZEESA-N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
200.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.3g/mol
Monoisotopic Mass:
200.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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