tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide - CAS 167011-35-0
Catalog: |
BB057412 |
Product Name: |
tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide |
CAS: |
167011-35-0 |
Synonyms: |
Tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide; 1,1-dioxothiane-3-carboxylic acid; tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide(SALTDATA: FREE); Tetrahydro-2H-thiopyran-3-carboxylic acid-1,1-dioxide; 1,1-Dioxo-1lambda~6~-thiane-3-carboxylic acid |
IUPAC Name: | 1,1-dioxothiane-3-carboxylic acid |
Description: | tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide (cas# 167011-35-0) is a useful research chemical. |
Molecular Weight: | 178.2 |
Molecular Formula: | C6H10O4S |
Canonical SMILES: | C1CC(CS(=O)(=O)C1)C(=O)O |
InChI: | InChI=1S/C6H10O4S/c7-6(8)5-2-1-3-11(9,10)4-5/h5H,1-4H2,(H,7,8) |
InChI Key: | UGIYZUNKFKCETD-UHFFFAOYSA-N |
Melting Point: | 125 - 127°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | Refrigerator, under inert atmosphere |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.02997997 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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