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Home > Other Heterocycles > 286390-80-5
286390-80-5 | 6-Thia-2,3-diazaspiro[4.5]decane (9CI)
CAS No: 286390-80-5 Catalog No: AG002VXM MDL No:
Product Description
Catalog Number:
AG002VXM
Chemical Name:
6-Thia-2,3-diazaspiro[4.5]decane (9CI)
CAS Number:
286390-80-5
Molecular Formula:
C7H14N2S
Molecular Weight:
158.2645
IUPAC Name:
6-thia-2,3-diazaspiro[4.5]decane
InChI:
InChI=1S/C7H14N2S/c1-2-4-10-7(3-1)5-8-9-6-7/h8-9H,1-6H2
InChI Key:
DMIYCFRMVQQMME-UHFFFAOYSA-N
SMILES:
C1CCC2(SC1)CNNC2
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.088g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.263g/mol
Monoisotopic Mass:
158.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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