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178218-31-0 | 4H-Azonin-4-one, octahydro-1-methyl-2-thioxo-
CAS No: 178218-31-0 Catalog No: AG0025UH MDL No:
Product Description
Catalog Number:
AG0025UH
Chemical Name:
4H-Azonin-4-one, octahydro-1-methyl-2-thioxo-
CAS Number:
178218-31-0
Molecular Formula:
C9H15NOS
Molecular Weight:
185.2865
IUPAC Name:
1-methyl-2-sulfanylideneazonan-4-one
InChI:
InChI=1S/C9H15NOS/c1-10-6-4-2-3-5-8(11)7-9(10)12/h2-7H2,1H3
InChI Key:
JBLIPUKVEZUTSK-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN(C(=S)C1)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.285g/mol
Monoisotopic Mass:
185.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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