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Home > Other Heterocycles > 2059999-31-2
2059999-31-2 | spiro[2.5]octane-4-carbothioamide
CAS No: 2059999-31-2 Catalog No: AG01BPIS MDL No:MFCD30500286
Product Description
Catalog Number:
AG01BPIS
Chemical Name:
spiro[2.5]octane-4-carbothioamide
CAS Number:
2059999-31-2
Molecular Formula:
C9H15NS
Molecular Weight:
169.2871
MDL Number:
MFCD30500286
IUPAC Name:
spiro[2.5]octane-8-carbothioamide
InChI:
InChI=1S/C9H15NS/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7H,1-6H2,(H2,10,11)
InChI Key:
AALHDOGOPNXHJO-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCCC21CC2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.093g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.286g/mol
Monoisotopic Mass:
169.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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