Basic information
- CAS
17859-41-5- Standard SMILES
CSCN1CCCCC1- InChIKey
WBGBLGWWFQCJAI-UHFFFAOYSA-N- Molecular formula
- C7H15NS
- Average molar mass
- 145.27 g/mol
- Monoisotopic mass
- 145.09252066
Names & identifiers
- Preferred name
- 1-[(Methylthio)methyl]piperidine
- IUPAC
- 1-(methylsulfanylmethyl)piperidine
- English name
- N-Methylthiomethylpiperidine
- Molecular formula
- C7H15NS
- Molecular weight
- 145.27
Names & synonyms
1-[(methylthio)methyl]piperidine17859-41-51-(methylsulfanylmethyl)piperidine1-[(methylsulfanyl)methyl]piperidinePiperidine, 1-[(methylthio)methyl]-SCHEMBL8715975DTXSID20380371N-Methylthiomethylpiperidine
Database identifiers
- CAS
17859-41-5- PubChem CID
- 2777089
- DTXSID
DTXSID20380371- Nikkaji
- J267.170K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.3
Physicochemical properties
- Boiling point
- 92 °C · 92 °C
- Density
- 0.974 · 0.974±0.06 g/cm3(Predicted)
- pka
- 8.36 · 8.36±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H315-H318-H335
- Precautionary statements
- 260 · P260-P280-P301+P312-P302+P352-P304+P340-P361+P364
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302+H312+H332-H315-H318-H335
- Precautionary statements
- P260-P280-P301+P312-P302+P352-P304+P340-P361+P364
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
PFALTZ-BAUER[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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