Thiolane-3-carboxylic Acid - CAS 18133-20-5
Catalog: |
BB072596 |
Product Name: |
Thiolane-3-carboxylic Acid |
CAS: |
18133-20-5 |
Synonyms: |
thiolane-3-carboxylic acid; Tetrahydro-3-thiophenecarboxylic acid; tetrahydrothiophene-3-carboxylic acid; tetrahydrothiophene-3-carboxylicacid |
IUPAC Name: | thiolane-3-carboxylic acid |
Molecular Weight: | 132.18 |
Molecular Formula: | C5H8O2S |
Canonical SMILES: | C1CSCC1C(=O)O |
InChI: | InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7) |
InChI Key: | BSNQHVPRAPQLSW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.02450067 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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