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Home > Other Heterocycles > 1233143-48-0
1233143-48-0 | 2-Thia-6-azaspiro[3.3]heptane, ethanedioate (2:1)
CAS No: 1233143-48-0 Catalog No: AG000KB7 MDL No:MFCD25970443
Product Description
Catalog Number:
AG000KB7
Chemical Name:
2-Thia-6-azaspiro[3.3]heptane, ethanedioate (2:1)
CAS Number:
1233143-48-0
Molecular Formula:
C12H20N2O4S2
Molecular Weight:
320.4282
MDL Number:
MFCD25970443
IUPAC Name:
oxalic acid;2-thia-6-azaspiro[3.3]heptane
InChI:
InChI=1S/2C5H9NS.C2H2O4/c2*1-5(2-6-1)3-7-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
IUOHIXFWUIKFFT-UHFFFAOYSA-N
SMILES:
N1CC2(C1)CSC2.N1CC2(C1)CSC2.OC(=O)C(=O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
320.422g/mol
Monoisotopic Mass:
320.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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