| CAS Number | 121519-97-9 |
| Catalog Number | AG01AB3X(AGN-PC-06J7WV) |
| Chemical Name | 3-[(2-aminoethyl)sulfanyl]propan-1-ol |
| IUPAC Name | 3-(2-aminoethylsulfanyl)propan-1-ol |
| InChI | InChI=1S/C5H13NOS/c6-2-5-8-4-1-3-7/h7H,1-6H2 |
| InChI Key | MCTRSQMRIMPHLJ-UHFFFAOYSA-N |
| MDL Number | MFCD11619783 |
| Molecular Formula | C5H13NOS |
| Molecular Weight | 135.2278 |
| SMILES | NCCSCCCO |
| UNII | S4RJ2D502S |
| Synonyms | 3-[(2-aminoethyl)sulfanyl]propan-1-ol,
UNII-S4RJ2D502S,
S4RJ2D502S,
121519-97-9,
AC1Q54OD,
3-(2-Aminoethylthio)propanol,
SCHEMBL11558875,
ZINC37035687,
3-((2-Aminoethyl)thio)-1-propanol,
AKOS008126156,
MCULE-1578023056,
NE26058,
1-Propanol, 3-((2-aminoethyl)thio)-,
EN300-70414,
|
| Complexity | 43.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.225g/mol |
| Monoisotopic Mass | 135.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number