Thiochroman-3-one - CAS 16895-58-2
Catalog: |
BB012505 |
Product Name: |
Thiochroman-3-one |
CAS: |
16895-58-2 |
Synonyms: |
4H-1-benzothiopyran-3-one; 4H-thiochromen-3-one |
IUPAC Name: | 4H-thiochromen-3-one |
Description: | Thiochroman-3-one (CAS# 16895-58-2) is a useful research chemical. |
Molecular Weight: | 164.22 |
Molecular Formula: | C9H8OS |
Canonical SMILES: | C1C(=O)CSC2=CC=CC=C21 |
InChI: | InChI=1S/C9H8OS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2 |
InChI Key: | KLYMTKVJYHTFIA-UHFFFAOYSA-N |
LogP: | 1.90390 |
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Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.02958605 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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