| CAS Number | 53056-86-3 |
| Catalog Number | AG01B8KO(AGN-PC-03BVLF) |
| Chemical Name | 3-(Ethylsulfanyl)propan-1-amine |
| IUPAC Name | 3-ethylsulfanylpropan-1-amine |
| InChI | InChI=1S/C5H13NS/c1-2-7-5-3-4-6/h2-6H2,1H3 |
| InChI Key | YUANZDIYFLGXAB-UHFFFAOYSA-N |
| MDL Number | MFCD11136021 |
| Molecular Formula | C5H13NS |
| Molecular Weight | 119.2284 |
| SMILES | CCSCCCN |
| Synonyms | 53056-86-3,
3-(ETHYLSULFANYL)PROPAN-1-AMINE,
1-Propanamine, 3-(ethylthio)-,
3-ethylthiopropylamine,
3-ethylsulfanyl-propylamine,
3-aminopropyl-ethyl sulfide,
SCHEMBL4077759,
CTK1G1507,
DTXSID80614609,
YUANZDIYFLGXAB-UHFFFAOYSA-N,
ZINC13526110,
AKOS000220523,
3-(ethylthio)propan-1-amine,
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| Complexity | 31.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.226g/mol |
| Monoisotopic Mass | 119.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number