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Home > Other Heterocycles > 2060060-53-7
2060060-53-7 | 5-oxaspiro[2.5]octane-8-carbothioamide
CAS No: 2060060-53-7 Catalog No: AG01BPIY MDL No:MFCD30500289
Product Description
Catalog Number:
AG01BPIY
Chemical Name:
5-oxaspiro[2.5]octane-8-carbothioamide
CAS Number:
2060060-53-7
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
MDL Number:
MFCD30500289
IUPAC Name:
5-oxaspiro[2.5]octane-8-carbothioamide
InChI:
InChI=1S/C8H13NOS/c9-7(11)6-1-4-10-5-8(6)2-3-8/h6H,1-5H2,(H2,9,11)
InChI Key:
ZYZMHGVMBRJSMQ-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCOCC21CC2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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