3-[4-(Methylthio)phenoxy]propylamine - CAS 1226776-90-4
Catalog: |
BB005448 |
Product Name: |
3-[4-(Methylthio)phenoxy]propylamine |
CAS: |
1226776-90-4 |
Synonyms: |
3-[4-(methylthio)phenoxy]-1-propanamine; 3-(4-methylsulfanylphenoxy)propan-1-amine |
IUPAC Name: | 3-(4-methylsulfanylphenoxy)propan-1-amine |
Description: | 3-[4-(Methylthio)phenoxy]propylamine (CAS# 1226776-90-4 ) is a useful research chemical. |
Molecular Weight: | 197.30 |
Molecular Formula: | C10H15NOS |
Canonical SMILES: | CSC1=CC=C(C=C1)OCCCN |
InChI: | InChI=1S/C10H15NOS/c1-13-10-5-3-9(4-6-10)12-8-2-7-11/h3-6H,2,7-8,11H2,1H3 |
InChI Key: | URXXMZZRZRUKBQ-UHFFFAOYSA-N |
LogP: | 2.83640 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.08743528 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.08743528 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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