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1005-05-6 | Ethanone, 2-mercapto-1-(1-piperidinyl)-
CAS No: 1005-05-6 Catalog No: AG00025X MDL No:MFCD01011135
Product Description
Catalog Number:
AG00025X
Chemical Name:
Ethanone, 2-mercapto-1-(1-piperidinyl)-
CAS Number:
1005-05-6
Molecular Formula:
C7H13NOS
Molecular Weight:
159.2492
MDL Number:
MFCD01011135
IUPAC Name:
1-piperidin-1-yl-2-sulfanylethanone
InChI:
InChI=1S/C7H13NOS/c9-7(6-10)8-4-2-1-3-5-8/h10H,1-6H2
InChI Key:
GVEPWYLNBKUPDJ-UHFFFAOYSA-N
SMILES:
SCC(=O)N1CCCCC1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.247g/mol
Monoisotopic Mass:
159.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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