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21094-45-1 | Piperidine, 1-[(methylthiocarbamoyl)oxy]- (8CI)
CAS No: 21094-45-1 Catalog No: AG002L33 MDL No:
Product Description
Catalog Number:
AG002L33
Chemical Name:
Piperidine, 1-[(methylthiocarbamoyl)oxy]- (8CI)
CAS Number:
21094-45-1
Molecular Formula:
C7H14N2OS
Molecular Weight:
174.2639
IUPAC Name:
O-piperidin-1-yl N-methylcarbamothioate
InChI:
InChI=1S/C7H14N2OS/c1-8-7(11)10-9-5-3-2-4-6-9/h2-6H2,1H3,(H,8,11)
InChI Key:
NZFRYIJIFINMLX-UHFFFAOYSA-N
SMILES:
CNC(=S)ON1CCCCC1
NSC Number:
320861
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.262g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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