| CAS Number | 42416-26-2 |
| Catalog Number | AG01A5S8(AGN-PC-0WOCIN) |
| Chemical Name | 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine |
| IUPAC Name | 2-prop-2-enylsulfanylethanamine |
| InChI | InChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2H,1,3-6H2 |
| InChI Key | MMWBFUNZJZFKBS-UHFFFAOYSA-N |
| MDL Number | MFCD09944195 |
| Molecular Formula | C5H11NS |
| Molecular Weight | 117.2125 |
| SMILES | NCCSCC=C |
| Synonyms | 2-(prop-2-en-1-ylsulfanyl)ethan-1-amine,
42416-26-2,
allyl 2-aminoethyl sulfide,
2-prop-2-enylthioethylamine,
SCHEMBL898058,
SBB076802,
ZINC19504297,
AKOS000185717,
MCULE-3972995930,
NE14666,
1221726-24-4,
|
| Complexity | 45.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.21g/mol |
| Monoisotopic Mass | 117.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number