| CAS Number | 112401-09-9 |
| Catalog Number | AG00HCDZ(AGN-PC-05BIAC) |
| Chemical Name | 4-Piperidinecarbothioamide |
| IUPAC Name | piperidine-4-carbothioamide |
| InChI | InChI=1S/C6H12N2S/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9) |
| InChI Key | LXOBYAWHAIZPPU-UHFFFAOYSA-N |
| MDL Number | MFCD09055273 |
| Molecular Formula | C6H12N2S |
| Molecular Weight | 144.2379 |
| SMILES | S=C(C1CCNCC1)N |
| Synonyms | Piperidine-4-carbothioamide,
4-Piperidinecarbothioamide,
112401-09-9,
MFCD09055273,
Piperidine-4-thiocarboxamide,
SCHEMBL1779021,
ZINC19089007,
AKOS006283750,
Piperidine-4-carbothioamide, AldrichCPR,
AJ-71097,
SC-21220,
Y-5102,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.236g/mol |
| Monoisotopic Mass | 144.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number