2-(Methylthio)pyrimidine-5-boronic Acid - CAS 348098-29-3
Catalog: |
BB022296 |
Product Name: |
2-(Methylthio)pyrimidine-5-boronic Acid |
CAS: |
348098-29-3 |
Synonyms: |
[2-(methylthio)-5-pyrimidinyl]boronic acid; (2-methylsulfanylpyrimidin-5-yl)boronic acid |
IUPAC Name: | (2-methylsulfanylpyrimidin-5-yl)boronic acid |
Description: | 2-(Methylthio)pyrimidine-5-boronic Acid (CAS# 348098-29-3) is a useful research chemical. |
Molecular Weight: | 170.00 |
Molecular Formula: | C5H7N2O2SB |
Canonical SMILES: | B(C1=CN=C(N=C1)SC)(O)O |
InChI: | InChI=1S/C5H7BN2O2S/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3 |
InChI Key: | SLNVTXVTMQIKCE-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD07375142 |
LogP: | -1.12170 |
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 |
KR-20190110736-A | Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same | 20180321 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
WO-2019180646-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
AU-2019237344-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0321288 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0321288 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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