(1,3-Benzothiazol-2-ylthio)acetonitrile - CAS 24793-01-9
Catalog: |
BB050139 |
Product Name: |
(1,3-Benzothiazol-2-ylthio)acetonitrile |
CAS: |
24793-01-9 |
Synonyms: |
2-(benzo[d]thiazol-2-ylthio)acetonitrile; (1,3-benzothiazol-2-ylsulfanyl)acetonitrile; 2-benzothiazol-2-ylthioethanenitrile; 2-Cyanomethylthiobenzothiazole; 2-(2-Benzothiazolylthio)acetonitrile |
IUPAC Name: | 2-(1,3-benzothiazol-2-ylsulfanyl)acetonitrile |
Description: | (1,3-Benzothiazol-2-ylthio)acetonitrile (CAS# 24793-01-9 ) is a useful research chemical. |
Molecular Weight: | 206.29 |
Molecular Formula: | C9H6N2S2 |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)SCC#N |
InChI: | InChI=1S/C9H6N2S2/c10-5-6-12-9-11-7-3-1-2-4-8(7)13-9/h1-4H,6H2 |
InChI Key: | GWSJKSFGUSSSKQ-UHFFFAOYSA-N |
Boiling Point: | 374.9±44.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.99724055 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.99724055 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
Benzoxazole/Benzothiazole
Sulfur Compounds
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