4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline - CAS 51660-11-8
Catalog: |
BB027539 |
Product Name: |
4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline |
CAS: |
51660-11-8 |
Synonyms: |
4-chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline; 4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline |
IUPAC Name: | 4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline |
Description: | 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline (CAS# 51660-11-8) is a useful research chemical compound. |
Molecular Weight: | 214.72 |
Molecular Formula: | C9H11ClN2S |
Canonical SMILES: | CSC1=NC2=C(CCCC2)C(=N1)Cl |
InChI: | InChI=1S/C9H11ClN2S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H2,1H3 |
InChI Key: | XDQBZDZLOKZGBN-UHFFFAOYSA-N |
Boiling Point: | 347.8 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
LogP: | 2.73070 |
Publication Number | Title | Priority Date |
KR-100209292-B1 | New pyrimidine derivatives | 19951120 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0331472 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0331472 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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