7,8-Dihydro-6H-5-oxa-9-thiabenzocyclohepten-7-ol - CAS 85615-06-1
Catalog: |
BB037663 |
Product Name: |
7,8-Dihydro-6H-5-oxa-9-thiabenzocyclohepten-7-ol |
CAS: |
85615-06-1 |
Synonyms: |
3,4-dihydro-2H-1,5-benzoxathiepin-3-ol; 3,4-dihydro-2H-1,5-benzoxathiepin-3-ol |
IUPAC Name: | 3,4-dihydro-2H-1,5-benzoxathiepin-3-ol |
Description: | 7,8-Dihydro-6H-5-oxa-9-thiabenzocyclohepten-7-ol (CAS# 85615-06-1 ) is a useful research chemical. |
Molecular Weight: | 182.24 |
Molecular Formula: | C9H10O2S |
Canonical SMILES: | C1C(CSC2=CC=CC=C2O1)O |
InChI: | InChI=1S/C9H10O2S/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4,7,10H,5-6H2 |
InChI Key: | SJVUEBATKZVGJY-UHFFFAOYSA-N |
LogP: | 1.53200 |
Publication Number | Title | Priority Date |
US-2002049325-A1 | Benzoether and related compositions and methods | 20000127 |
US-6410552-B1 | Benzoether and related compositions and methods | 20000127 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.04015073 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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