| CAS Number | 950603-22-2 |
| Catalog Number | AG00IIPE(AGN-PC-0WCCGG) |
| Chemical Name | Methyl[(thian-4-yl)methyl]amine |
| IUPAC Name | N-methyl-1-(thian-4-yl)methanamine |
| InChI | InChI=1S/C7H15NS/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3 |
| InChI Key | FPKJBESBCAZWPI-UHFFFAOYSA-N |
| MDL Number | MFCD09879924 |
| Molecular Formula | C7H15NS |
| Molecular Weight | 145.2657 |
| SMILES | CNCC1CCSCC1 |
| Synonyms | 950603-22-2,
N-METHYL(TETRAHYDROTHIOPYRAN-4-YL)METHYLAMINE,
methyl(thian-4-ylmethyl)amine,
methyl[(thian-4-yl)methyl]amine,
N-Methyl(tetrahydro-2H-thiopyran-4-yl)methylamine,
C7H15NS,
SCHEMBL178463,
CTK5H7343,
DTXSID40640348,
4197AF,
MFCD09879924,
N-methyl-1-(thian-4-yl)methanamine,
SBB086431,
ZINC12370686,
AKOS006343041,
AS-9265,
DB-080170,
RT-014460,
FT-0744205,
N-Methyl-N-(tetrahydro-2H-thiopyran-4-ylmethyl)amine,
N-Methyl methylamine,
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| Complexity | 69.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.264g/mol |
| Monoisotopic Mass | 145.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number