3-(Acetylthio)propionitrile - CAS 119174-33-3
Catalog: |
BB004426 |
Product Name: |
3-(Acetylthio)propionitrile |
CAS: |
119174-33-3 |
Synonyms: |
S-(2-cyanoethyl) ethanethioate |
IUPAC Name: | S-(2-cyanoethyl) ethanethioate |
Description: | 3-(Acetylthio)propionitrile (CAS# 119174-33-3 ) is a useful research chemical. |
Molecular Weight: | 129.18 |
Molecular Formula: | C5H7NOS |
Canonical SMILES: | CC(=O)SCCC#N |
InChI: | InChI=1S/C5H7NOS/c1-5(7)8-4-2-3-6/h2,4H2,1H3 |
InChI Key: | BMBATCYWJILFCR-UHFFFAOYSA-N |
Boiling Point: | 246-247 °C (lit.) |
Purity: | 95 % |
Density: | 1.120 g/mL at 25 °C(lit.) |
MDL: | MFCD02755518 |
LogP: | 1.17978 |
Publication Number | Title | Priority Date |
AU-2006228957-A1 | Inhibitors of histone deacetylase | 20050401 |
CA-2603589-A1 | Inhibitors of histone deacetylase | 20050401 |
EP-1863804-A1 | Inhibitors of histone deacetylase | 20050401 |
US-2006264415-A1 | Inhibitors of histone deacetylase | 20050401 |
WO-2006102760-A1 | Inhibitors of histone deacetylase | 20050401 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.02483502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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