5-Thiophen-2-ylmethyl-2H-tetrazole - CAS 120855-12-1
Catalog: |
BB049471 |
Product Name: |
5-Thiophen-2-ylmethyl-2H-tetrazole |
CAS: |
120855-12-1 |
Synonyms: |
2-(2H-1,2,3,4-tetraazol-5-ylmethyl)thiophene |
IUPAC Name: | 5-(thiophen-2-ylmethyl)-2H-tetrazole |
Description: | 5-Thiophen-2-ylmethyl-2H-tetrazole (CAS# 120855-12-1 ) is a useful research chemical. |
Molecular Weight: | 166.21 |
Molecular Formula: | C6H6N4S |
Canonical SMILES: | C1=CSC(=C1)CC2=NNN=N2 |
InChI: | InChI=1S/C6H6N4S/c1-2-5(11-3-1)4-6-7-9-10-8-6/h1-3H,4H2,(H,7,8,9,10) |
InChI Key: | BFCXMQOUSDALQE-UHFFFAOYSA-N |
Boiling Point: | 373.1±44.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.03131738 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.03131738 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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