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Home > Other Heterocycles > 1003-80-1
1003-80-1 | 1,4-Dithia-7-azaspiro[4.4]nonane (8CI,9CI)
CAS No: 1003-80-1 Catalog No: AG0001I2 MDL No:
Product Description
Catalog Number:
AG0001I2
Chemical Name:
1,4-Dithia-7-azaspiro[4.4]nonane (8CI,9CI)
CAS Number:
1003-80-1
Molecular Formula:
C6H11NS2
Molecular Weight:
161.2882
IUPAC Name:
1,4-dithia-7-azaspiro[4.4]nonane
InChI:
InChI=1S/C6H11NS2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2
InChI Key:
RSZGQXYMUGKTME-UHFFFAOYSA-N
SMILES:
C1NCC2(C1)SCCS2
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.281g/mol
Monoisotopic Mass:
161.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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