| CAS Number | 16888-42-9 |
| Catalog Number | AG019MW5(AGN-PC-02H06U) |
| Chemical Name | 3-(Piperidin-1-yl)propanethioamide |
| IUPAC Name | 3-piperidin-1-ylpropanethioamide |
| InChI | InChI=1S/C8H16N2S/c9-8(11)4-7-10-5-2-1-3-6-10/h1-7H2,(H2,9,11) |
| InChI Key | JJGDQVVOQMYENJ-UHFFFAOYSA-N |
| MDL Number | MFCD08558316 |
| Molecular Formula | C8H16N2S |
| Molecular Weight | 172.2910 |
| SMILES | N1(CCCCC1)CCC(N)=S |
| Synonyms | 3-(piperidin-1-yl)propanethioamide,
3-piperidin-1-ylpropanethioamide,
16888-42-9,
1-amino-3-piperidylpropane-1-thione,
SCHEMBL7434690,
CTK7D3889,
AC1Q5016,
SBB024089,
STK351130,
ZINC12394904,
AKOS000181746,
MCULE-2768225485,
NE53242,
ST45115724,
EN300-37498,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.29g/mol |
| Monoisotopic Mass | 172.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number