| CAS Number | 1123169-59-4 |
| Catalog Number | AG008VB8(AGN-PC-0WB5GQ) |
| Chemical Name | 3-[(2-Fluorobenzyl)thio]-1-propanamine |
| IUPAC Name | 3-[(2-fluorophenyl)methylsulfanyl]propan-1-amine |
| InChI | InChI=1S/C10H14FNS/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-5H,3,6-8,12H2 |
| InChI Key | DMYIFAMQXJFTJA-UHFFFAOYSA-N |
| MDL Number | MFCD12198498 |
| Molecular Formula | C10H14FNS |
| Molecular Weight | 199.2883 |
| SMILES | C1(=CC=CC=C1F)CSCCCN |
| Synonyms | 1123169-59-4,
3-((2-Fluorobenzyl)thio)propan-1-amine,
3-[(2-fluorobenzyl)sulfanyl]propan-1-amine,
3-[(2-fluorobenzyl)thio]-1-propanamine,
ZX-CM008063,
BBL003778,
SP4035,
STK873726,
ZINC29866065,
AKOS000430589,
MCULE-5561630472,
Y-7181,
3-[(2-fluorobenzyl)thio]-1-propanamine(SALTDATA,
3-{[(2-fluorophenyl)methyl]sulfanyl}propan-1-amine,
AJ-83870,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.083099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.29g/mol |
| Monoisotopic Mass | 199.083099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number