4,5,6,7-Tetrahydrobenzothiazole - CAS 4433-49-2
Catalog: |
BB054670 |
Product Name: |
4,5,6,7-Tetrahydrobenzothiazole |
CAS: |
4433-49-2 |
Synonyms: |
Benzothiazole, 4,5,6,7-tetrahydro-; 4,5,6,7-Tetrahydrobenzo[d]thiazole |
IUPAC Name: | 4,5,6,7-tetrahydro-1,3-benzothiazole |
Molecular Weight: | 139.22 |
Molecular Formula: | C7H9NS |
Canonical SMILES: | C1CCC2=C(C1)N=CS2 |
InChI: | InChI=1S/C7H9NS/c1-2-4-7-6(3-1)8-5-9-7/h5H,1-4H2 |
InChI Key: | RMFVVPBBEDMZQI-UHFFFAOYSA-N |
Boiling Point: | 243.5±9.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.04557046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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