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1823409-13-7 | 1-(ethylcarbamothioyl)piperidine-4-carboxylic acid
CAS No: 1823409-13-7 Catalog No: AG01FMOJ MDL No:MFCD28251361
Product Description
Catalog Number:
AG01FMOJ
Chemical Name:
1-(ethylcarbamothioyl)piperidine-4-carboxylic acid
CAS Number:
1823409-13-7
Molecular Formula:
C9H16N2O2S
Molecular Weight:
216.3005
MDL Number:
MFCD28251361
IUPAC Name:
1-(ethylcarbamothioyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C9H16N2O2S/c1-2-10-9(14)11-5-3-7(4-6-11)8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChI Key:
HNGKUFSNBHVDOI-UHFFFAOYSA-N
SMILES:
CCNC(=S)N1CCC(CC1)C(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.299g/mol
Monoisotopic Mass:
216.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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