2-[4-(Methylthio)phenoxy]ethylamine - CAS 1203188-22-0
Catalog: |
BB004783 |
Product Name: |
2-[4-(Methylthio)phenoxy]ethylamine |
CAS: |
1203188-22-0 |
Synonyms: |
2-[4-(methylthio)phenoxy]ethanamine; 2-(4-methylsulfanylphenoxy)ethanamine |
IUPAC Name: | 2-(4-methylsulfanylphenoxy)ethanamine |
Description: | 2-[4-(Methylthio)phenoxy]ethylamine (CAS# 1203188-22-0) is a useful research chemical. |
Molecular Weight: | 183.27 |
Molecular Formula: | C9H13NOS |
Canonical SMILES: | CSC1=CC=C(C=C1)OCCN |
InChI: | InChI=1S/C9H13NOS/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5H,6-7,10H2,1H3 |
InChI Key: | OBQCIKNPWDQZBQ-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 2.44630 |
Publication Number | Title | Priority Date |
EP-0874805-A1 | Phenylacetamide derivatives | 19951212 |
EP-0874805-B1 | Phenylacetamide derivatives | 19951212 |
US-5973201-A | Phenylacetamide derivatives | 19951212 |
WO-9721668-A1 | Phenylacetamide derivatives | 19951212 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.07178521 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.07178521 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 60.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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