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13070-01-4 | 2-Piperidinethione
CAS No: 13070-01-4 Catalog No: AG000UUB MDL No:MFCD00145123
Product Description
Catalog Number:
AG000UUB
Chemical Name:
2-Piperidinethione
CAS Number:
13070-01-4
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
MDL Number:
MFCD00145123
IUPAC Name:
piperidine-2-thione
InChI:
InChI=1S/C5H9NS/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChI Key:
GCVHYGRJLCAOGI-UHFFFAOYSA-N
SMILES:
S=C1CCCCN1
NSC Number:
343088
Properties
Complexity:
80.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.046g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.194g/mol
Monoisotopic Mass:
115.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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