| CAS Number | 99177-74-9 |
| Catalog Number | AG0066AH(AGN-PC-00NGIO) |
| Chemical Name | 3-[(4-Chlorobenzyl)thio]-1-propanamine |
| IUPAC Name | 3-[(4-chlorophenyl)methylsulfanyl]propan-1-amine |
| InChI | InChI=1S/C10H14ClNS/c11-10-4-2-9(3-5-10)8-13-7-1-6-12/h2-5H,1,6-8,12H2 |
| InChI Key | NLZAXBPULVTQSP-UHFFFAOYSA-N |
| MDL Number | MFCD06213268 |
| Molecular Formula | C10H14ClNS |
| Molecular Weight | 215.7429 |
| SMILES | C1(=CC=C(C=C1)CSCCCN)Cl |
| Synonyms | 3-[(4-CHLOROBENZYL)THIO]-1-PROPANAMINE,
99177-74-9,
CTK5I0262,
DTXSID20545382,
ZX-CM008043,
MFCD06213268,
ZINC21953405,
AKOS000430560,
3-((4-Chlorobenzyl)thio)propan-1-amine,
AJ-78776,
Y-2117,
3-{[(4-CHLOROPHENYL)METHYL]SULFANYL}PROPAN-1-AMINE,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.739g/mol |
| Monoisotopic Mass | 215.054g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number