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Home > Other Heterocycles > 212710-51-5
212710-51-5 | 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CAS No: 212710-51-5 Catalog No: AG00I438 MDL No:MFCD06363493
Product Description
Catalog Number:
AG00I438
Chemical Name:
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CAS Number:
212710-51-5
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD06363493
IUPAC Name:
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
InChI:
InChI=1S/C6H8N2O2S/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
InChI Key:
MDNCSTBDLRSGIJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(N1)CSCC2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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