| CAS Number | 128861-76-7 |
| Catalog Number | AG000YFP(AGN-PC-001X22) |
| Chemical Name | 3-Thietaneamine hydrobromide |
| IUPAC Name | thietan-3-amine |
| InChI | InChI=1S/C3H7NS/c4-3-1-5-2-3/h3H,1-2,4H2 |
| InChI Key | GNWIATZLVXZUEL-UHFFFAOYSA-N |
| MDL Number | MFCD11865285 |
| Molecular Formula | C3H7NS |
| Molecular Weight | 89.1594 |
| SMILES | NC1CSC1 |
| Synonyms | thietan-3-amine,
3-THIETANAMINE,
128861-76-7,
3-aminothietane,
Thietan-3yl-Amine,
ACMC-20egvv,
THIETAN-3-YLAMINE,
CTK0H3881,
DTXSID80561987,
GNWIATZLVXZUEL-UHFFFAOYSA-N,
ZINC34327690,
AKOS006351655,
PB11400,
AJ-87981,
AN-32416,
DB-062663,
TX-018016,
FT-0711619,
EN300-76059,
F1907-0861,
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| Complexity | 33.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 89.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 89.156g/mol |
| Monoisotopic Mass | 89.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number