| CAS Number | 289677-13-0 |
| Catalog Number | AG002V1A(AGN-PC-0R4R34) |
| Chemical Name | 4-METHYL VALERYL PIPERIDINE THIOAMIDE |
| IUPAC Name | 4-methyl-1-piperidin-1-ylpentane-1-thione |
| InChI | InChI=1S/C11H21NS/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h10H,3-9H2,1-2H3 |
| InChI Key | IWHGQDNOQCNXJH-UHFFFAOYSA-N |
| MDL Number | MFCD02179413 |
| Molecular Formula | C11H21NS |
| Molecular Weight | 199.3561 |
| SMILES | CC(C)CCC(=S)N1CCCCC1 |
| Synonyms | 289677-13-0,
4-Methyl valeryl piperidine thioamide,
4-Methyl-1-(piperidin-1-yl)pentane-1-thione,
4-Methylvalerylpiperidinethioamide,
4-methyl-1-piperidin-1-ylpentane-1-thione,
AC1MC1ZF,
DTXSID90375032,
ZINC2391921,
MFCD02179413,
AKOS006345221,
AB11100,
AS-39062,
AB0079130,
A5451,
1-Pentanethione, 4-methyl-1-(1-piperidinyl)-,
A-2318,
N-(4-methylpentanoyl)piperidine-1-carbothioamide,
ZINC02391921,
CID2760128,
4-Methyl-1-piperidin-1-yl-pentane-1-thione,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.356g/mol |
| Monoisotopic Mass | 199.139g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number