3-(Methylsulfonyl)-1-propanol - CAS 2058-49-3
Catalog: |
BB016081 |
Product Name: |
3-(Methylsulfonyl)-1-propanol |
CAS: |
2058-49-3 |
Synonyms: |
3-methylsulfonyl-1-propanol; 3-methylsulfonylpropan-1-ol |
IUPAC Name: | 3-methylsulfonylpropan-1-ol |
Description: | 3-(Methylsulfonyl)-1-propanol (CAS# 2058-49-3) is a useful research chemical. |
Molecular Weight: | 138.19 |
Molecular Formula: | C4H10O3S |
Canonical SMILES: | CS(=O)(=O)CCCO |
InChI: | InChI=1S/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3 |
InChI Key: | XPXXXQZNUQAFQY-UHFFFAOYSA-N |
Boiling Point: | 349.4 ℃ at 760 mmHg |
Density: | 1.221 g/cm3 |
MDL: | MFCD01696727 |
LogP: | 0.49420 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021195599-A1 | Mtorc1 modulators and uses thereof | 20200327 |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
CN-111187406-A | Bisphenol acid type polyarylether dielectric material with side chain containing methylsulfonyl and preparation method thereof | 20200311 |
CN-111205452-A | Phenolphthalein type high-dielectric polyarylether resin with side chain containing methylsulfonyl and preparation method thereof | 20200311 |
CN-112409223-A | Amide compounds and medical application thereof as STING inhibitor | 20191012 |
PMID | Publication Date | Title | Journal |
22724451 | 20120726 | Free fatty acid receptor 1 (FFA1/GPR40) agonists: mesylpropoxy appendage lowers lipophilicity and improves ADME properties | Journal of medicinal chemistry |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.03506535 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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