| CAS Number | 104864-09-7 |
| Catalog Number | AG007GAC(AGN-PC-00KHI3) |
| Chemical Name | 3-[(4-Chlorophenyl)thio]-1-propanamine |
| IUPAC Name | 3-(4-chlorophenyl)sulfanylpropan-1-amine |
| InChI | InChI=1S/C9H12ClNS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2 |
| InChI Key | VVSRYXXUZUUHDJ-UHFFFAOYSA-N |
| MDL Number | MFCD06213253 |
| Molecular Formula | C9H12ClNS |
| Molecular Weight | 201.7163 |
| SMILES | C1(C=CC(=CC=1)Cl)SCCCN |
| Synonyms | 104864-09-7,
1-Propanamine, 3-[(4-chlorophenyl)thio]-,
3-[(4-chlorophenyl)thio]-1-propanamine,
3-[(4-CHLOROPHENYL)SULFANYL]PROPAN-1-AMINE,
ACMC-20m7oq,
SCHEMBL9866388,
CTK0D7803,
DTXSID60515322,
3-(4-chlorophenylthio)propylamine,
ZX-CM007652,
MFCD06213253,
SBB076706,
ZINC19093339,
AKOS000194213,
BBV-084291,
VS-0144,
3-((4-Chlorophenyl)thio)propan-1-amine,
Y-2115,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.712g/mol |
| Monoisotopic Mass | 201.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number