| CAS Number | 767270-41-7 |
| Catalog Number | AG00G2DG(AGN-PC-0UAF0H) |
| Chemical Name | 4-(Methylsulfanyl)piperidine |
| IUPAC Name | 4-methylsulfanylpiperidine |
| InChI | InChI=1S/C6H13NS/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3 |
| InChI Key | WGFYICOOQBENDY-UHFFFAOYSA-N |
| MDL Number | MFCD08689581 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CSC1CCNCC1 |
| Synonyms | 4-Methylthiopiperidine,
767270-41-7,
4-(METHYLSULFANYL)PIPERIDINE,
4-(methylthio)Piperidine,
4-METHYTHIO-PIPERIDINE,
Methyl 4-piperidinyl sulfide,
SCHEMBL2706401,
CTK8E2448,
MFCD08689581,
ZINC43501288,
AKOS010951662,
GS-5498,
SB10001,
KS-0000262J,
AJ-108667,
DB-075176,
TC-072629,
CS-0053722,
FT-0757717,
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| Complexity | 59.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.237g/mol |
| Monoisotopic Mass | 131.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number