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Home > Other Heterocycles > 260550-62-7
260550-62-7 | 4,6-Dithia-1-azabicyclo[3.2.0]heptane (9CI)
CAS No: 260550-62-7 Catalog No: AG002RIW MDL No:
Product Description
Catalog Number:
AG002RIW
Chemical Name:
4,6-Dithia-1-azabicyclo[3.2.0]heptane (9CI)
CAS Number:
260550-62-7
Molecular Formula:
C4H7NS2
Molecular Weight:
133.2351
IUPAC Name:
4,6-dithia-1-azabicyclo[3.2.0]heptane
InChI:
InChI=1S/C4H7NS2/c1-2-6-4-5(1)3-7-4/h4H,1-3H2
InChI Key:
XDEVRMXSDRYVHQ-UHFFFAOYSA-N
SMILES:
C1SC2N(C1)CS2
Properties
Complexity:
85.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.002g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.227g/mol
Monoisotopic Mass:
133.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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