Thietane-3-carboxylic Acid - CAS 765-55-9
Catalog: |
BB035611 |
Product Name: |
Thietane-3-carboxylic Acid |
CAS: |
765-55-9 |
Synonyms: |
3-thietanecarboxylic acid; thietane-3-carboxylic acid |
IUPAC Name: | thietane-3-carboxylic acid |
Description: | Thietane-3-carboxylic Acid (CAS# 765-55-9) is a useful research chemical. |
Molecular Weight: | 118.15 |
Molecular Formula: | C4H6O2S |
Canonical SMILES: | C1C(CS1)C(=O)O |
InChI: | InChI=1S/C4H6O2S/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6) |
InChI Key: | BDIPXAVHQNFRNU-UHFFFAOYSA-N |
MDL: | MFCD19229335 |
LogP: | 0.43400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
AU-2018312680-A1 | Pyridine compound substituted with azole | 20170810 |
US-10266542-B2 | EZH2 inhibitors | 20170315 |
US-2018265517-A1 | EZH2 Inhibitors | 20170315 |
CN-107624113-A | It is used to treat hepatitis b virus infected tetrahydropyridine simultaneously pyrimidine and tetrahydropyridine and pyridine compounds and their as the inhibitor that HBsAg (HBsAg) and HBV DNA is generated | 20150504 |
PMID | Publication Date | Title | Journal |
22751994 | 20120828 | Comparison of the reactivity of β-thiolactones and β-lactones toward ring-opening by thiols and amines | Organic & biomolecular chemistry |
Complexity: | 87.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.00885060 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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