Methyl 4-Oxotetrahydrothiopyran-3-carboxylate - CAS 4160-61-6
Catalog: |
BB024913 |
Product Name: |
Methyl 4-Oxotetrahydrothiopyran-3-carboxylate |
CAS: |
4160-61-6 |
Synonyms: |
4-oxo-3-thianecarboxylic acid methyl ester; methyl 4-oxothiane-3-carboxylate |
IUPAC Name: | methyl 4-oxothiane-3-carboxylate |
Description: | Methyl 4-Oxotetrahydrothiopyran-3-carboxylate (CAS# 4160-61-6) is a useful research chemical. |
Molecular Weight: | 174.22 |
Molecular Formula: | C7H10O3S |
Canonical SMILES: | COC(=O)C1CSCCC1=O |
InChI: | InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3 |
InChI Key: | MCUXKFHPGMEIIW-UHFFFAOYSA-N |
MDL: | MFCD00203485 |
LogP: | 0.48160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017288755-A1 | Novel compound or pharmaceutically acceptable salt thereof | 20160630 |
CA-3029305-A1 | Novel compound or pharmaceutically acceptable salt thereof | 20160630 |
EP-3480198-A1 | Novel compound or pharmaceutically acceptable salt thereof | 20160630 |
JP-WO2018003962-A1 | Novel compound or pharmacologically acceptable salt thereof | 20160630 |
KR-20190044054-A | A novel compound or a pharmaceutically acceptable salt thereof | 20160630 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.03506535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS