3-chlorosulfonyl-propionic acid methyl ester - CAS 15441-07-3
Catalog: |
BB011009 |
Product Name: |
3-chlorosulfonyl-propionic acid methyl ester |
CAS: |
15441-07-3 |
Synonyms: |
3-chlorosulfonylpropanoic acid methyl ester; methyl 3-chlorosulfonylpropanoate |
IUPAC Name: | methyl 3-chlorosulfonylpropanoate |
Description: | 3-chlorosulfonyl-propionic acid methyl ester (CAS# 15441-07-3) is a useful research chemical. |
Molecular Weight: | 186.61 |
Molecular Formula: | C4H7ClO4S |
Canonical SMILES: | COC(=O)CCS(=O)(=O)Cl |
InChI: | InChI=1S/C4H7ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3 |
InChI Key: | LWJZGJNMJBUUMC-UHFFFAOYSA-N |
Boiling Point: | 245.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.43 g/cm3 |
Appearance: | Liquid |
LogP: | 1.19890 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
CN-112812111-A | Benzothiazole compound and medical application thereof | 20200303 |
WO-2021175234-A1 | Benzothiazole compound and medical use | 20200303 |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
WO-2021127643-A1 | Fluoroalkyl-oxadiazoles and uses thereof | 20191220 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.9753576 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.9753576 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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