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Home > Other Heterocycles > 29177-26-2
29177-26-2 | 1-thia-4,8-diazaspiro[4.5]decan-3-one
CAS No: 29177-26-2 Catalog No: AG01A57Y MDL No:MFCD20665100
Product Description
Catalog Number:
AG01A57Y
Chemical Name:
1-thia-4,8-diazaspiro[4.5]decan-3-one
CAS Number:
29177-26-2
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD20665100
IUPAC Name:
1-thia-4,8-diazaspiro[4.5]decan-3-one
InChI:
InChI=1S/C7H12N2OS/c10-6-5-11-7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChI Key:
ZRYXFTYZSNHVDQ-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1)CCNCC2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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