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Home > Other Heterocycles > 139585-87-8
139585-87-8 | 2-Thia-5,7-diazaspiro[3.4]octane (9CI)
CAS No: 139585-87-8 Catalog No: AG001BBA MDL No:
Product Description
Catalog Number:
AG001BBA
Chemical Name:
2-Thia-5,7-diazaspiro[3.4]octane (9CI)
CAS Number:
139585-87-8
Molecular Formula:
C5H10N2S
Molecular Weight:
130.2113
IUPAC Name:
2-thia-5,7-diazaspiro[3.4]octane
InChI:
InChI=1S/C5H10N2S/c1-5(2-8-3-5)7-4-6-1/h6-7H,1-4H2
InChI Key:
RIYZDGUBQVHGNR-UHFFFAOYSA-N
SMILES:
C1NCC2(N1)CSC2
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.056g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.209g/mol
Monoisotopic Mass:
130.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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