| CAS Number | 1060817-77-7 |
| Catalog Number | AG007VWA(AGN-PC-0WB520) |
| Chemical Name | 3-[(2-Furylmethyl)thio]-1-propanamine |
| IUPAC Name | 3-(furan-2-ylmethylsulfanyl)propan-1-amine |
| InChI | InChI=1S/C8H13NOS/c9-4-2-6-11-7-8-3-1-5-10-8/h1,3,5H,2,4,6-7,9H2 |
| InChI Key | ALOAPIAAKWFTJT-UHFFFAOYSA-N |
| MDL Number | MFCD10694535 |
| Molecular Formula | C8H13NOS |
| Molecular Weight | 171.2599 |
| SMILES | C1(CSCCCN)=CC=CO1 |
| Synonyms | 3-[(2-FURYLMETHYL)THIO]-1-PROPANAMINE,
1060817-77-7,
CTK4A4393,
DTXSID80651115,
ZX-CM018185,
MFCD10694535,
ZINC19094290,
AKOS000430591,
AJ-72395,
3-((Furan-2-ylmethyl)thio)propan-1-amine,
Y-6419,
3-{[(Furan-2-yl)methyl]sulfanyl}propan-1-amine,
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| Complexity | 100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.258g/mol |
| Monoisotopic Mass | 171.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number