| CAS Number | 1211466-29-3 |
| Catalog Number | AG00J2HG(AGN-PC-0WC644) |
| Chemical Name | 4-[(methylthio)methyl]piperidine hydrochloride |
| IUPAC Name | 4-(methylsulfanylmethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C7H15NS.ClH/c1-9-6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H |
| InChI Key | PQRFVIVBMRFCLO-UHFFFAOYSA-N |
| MDL Number | MFCD15202354 |
| Molecular Formula | C7H16ClNS |
| Molecular Weight | 181.7266 |
| SMILES | N1CCC(CSC)CC1.Cl |
| Synonyms | 4-[(METHYLTHIO)METHYL]PIPERIDINE HYDROCHLORIDE,
1211466-29-3,
4-[(methylsulfanyl)methyl]piperidine hydrochloride,
4-((Methylthio)methyl)piperidine hydrochloride,
T3831,
F2167-0525,
|
| Complexity | 69.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.069198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.73g/mol |
| Monoisotopic Mass | 181.069198g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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