2-(Acetylthio)norbornane, mixture of isomers - CAS 90611-37-3
Catalog: |
BB039909 |
Product Name: |
2-(Acetylthio)norbornane, mixture of isomers |
CAS: |
90611-37-3 |
Synonyms: |
S-(2-bicyclo[2.2.1]heptanyl) ethanethioate |
IUPAC Name: | S-(2-bicyclo[2.2.1]heptanyl) ethanethioate |
Description: | 2-(Acetylthio)norbornane, mixture of isomers (CAS# 90611-37-3) is an intermediate in the synthesis of 2-Norbornanesulfonyl Chloride (N661235), which is a Sulfonyl halide that can react readily with nucleophiles like alcohols and amines. |
Molecular Weight: | 170.27 |
Molecular Formula: | C9H14OS |
Canonical SMILES: | CC(=O)SC1CC2CCC1C2 |
InChI: | InChI=1S/C9H14OS/c1-6(10)11-9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3 |
InChI Key: | AKEZPHRQPYDGQV-UHFFFAOYSA-N |
Boiling Point: | 245.7 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD00167648 |
LogP: | 2.45470 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.07653624 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.07653624 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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