3-Butene-1-sulfonyl Chloride - CAS 33994-36-4
Catalog: |
BB021923 |
Product Name: |
3-Butene-1-sulfonyl Chloride |
CAS: |
33994-36-4 |
Synonyms: |
3-butene-1-sulfonyl chloride; but-3-ene-1-sulfonyl chloride |
IUPAC Name: | but-3-ene-1-sulfonyl chloride |
Description: | 3-Butene-1-sulfonyl Chloride (CAS# 33994-36-4) is a useful research chemical. |
Molecular Weight: | 154.62 |
Molecular Formula: | C4H7ClO2S |
Canonical SMILES: | C=CCCS(=O)(=O)Cl |
InChI: | InChI=1S/C4H7ClO2S/c1-2-3-4-8(5,6)7/h2H,1,3-4H2 |
InChI Key: | FMLFRGLMOUTPLQ-UHFFFAOYSA-N |
LogP: | 2.21190 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110603252-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
EP-3589628-A1 | Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders | 20170301 |
JP-2020514331-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
US-2020071301-A1 | Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders | 20170301 |
WO-2018160889-A1 | Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders | 20170301 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.9855283 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.9855283 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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