2-(Methylthio)-5,6-dihydropyrimidin-4(1H)-one - CAS 100185-53-3
Catalog: |
BB000120 |
Product Name: |
2-(Methylthio)-5,6-dihydropyrimidin-4(1H)-one |
CAS: |
100185-53-3 |
Synonyms: |
2-(methylthio)-4,5-dihydro-1H-pyrimidin-6-one; 2-methylsulfanyl-4,5-dihydro-1H-pyrimidin-6-one |
IUPAC Name: | 2-methylsulfanyl-4,5-dihydro-1H-pyrimidin-6-one |
Description: | 2-(Methylthio)-5,6-dihydropyrimidin-4(1H)-one (CAS# 100185-53-3 ) is a useful research chemical. |
Molecular Weight: | 144.19 |
Molecular Formula: | C5H8N2OS |
Canonical SMILES: | CSC1=NCCC(=O)N1 |
InChI: | InChI=1S/C5H8N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H2,1H3,(H,6,7,8) |
InChI Key: | MZBYNRXWZKXNMZ-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 ℃ |
LogP: | -0.01030 |
Publication Number | Title | Priority Date |
KR-20160048807-A | Combination of a mek inhibitor and an erk inhibitor for use in treatment of hyperproliferative diseases | 20130905 |
US-5741796-A | Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption | 19940527 |
US-5929120-A | Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption | 19940527 |
WO-9532710-A1 | Compounds for inhibiting osteoclast-mediated bone resorption | 19940527 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.03573406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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