5-(Chloromethyl)-3-[(methylthio)methyl]-1,2,4-oxadiazole - CAS 229343-09-3
Catalog: |
BB017826 |
Product Name: |
5-(Chloromethyl)-3-[(methylthio)methyl]-1,2,4-oxadiazole |
CAS: |
229343-09-3 |
Synonyms: |
5-(chloromethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole |
IUPAC Name: | 5-(chloromethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole |
Description: | 5-(Chloromethyl)-3-[(methylthio)methyl]-1,2,4-oxadiazole (CAS# 229343-09-3) is a useful research chemical. |
Molecular Weight: | 178.64 |
Molecular Formula: | C5H7ClN2OS |
Canonical SMILES: | CSCC1=NOC(=N1)CCl |
InChI: | InChI=1S/C5H7ClN2OS/c1-10-3-4-7-5(2-6)9-8-4/h2-3H2,1H3 |
InChI Key: | PIGMOPKKZYRENN-UHFFFAOYSA-N |
Boiling Point: | 272.9 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.341 g/cm3 |
MDL: | MFCD08691642 |
LogP: | 1.67140 |
Publication Number | Title | Priority Date |
AU-2010332955-A1 | 3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
AU-2010332955-B2 | 3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
AU-2010332955-B8 | 3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
CA-2784013-A1 | 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
EA-023212-B1 | DERIVATIVES 3,4,4a, 10b-TETRAGIDRO-1H-TIOPIRANO [4,3-c] IZOHINOLINA | 20091218 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.9967617 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.9967617 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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