Ethyl isothiocyanatoacetate - CAS 24066-82-8
Catalog: |
BB018316 |
Product Name: |
Ethyl isothiocyanatoacetate |
CAS: |
24066-82-8 |
Synonyms: |
ethyl 2-isothiocyanatoacetate |
IUPAC Name: | ethyl 2-isothiocyanatoacetate |
Description: | Ethyl Isothiocyanatoacetate can be used as a dye in dye-sensitized solar cells. |
Molecular Weight: | 145.18 |
Molecular Formula: | C5H7NO2S |
Canonical SMILES: | CCOC(=O)CN=C=S |
InChI: | InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3 |
InChI Key: | IYPSSPPKMLXXRN-UHFFFAOYSA-N |
Boiling Point: | 104 °C (7 torr) |
Density: | 1.171 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00060677 |
LogP: | 0.65230 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019222431-A1 | Oxadiazole compounds | 20180516 |
CA-3100503-A1 | Oxadiazole compounds | 20180516 |
WO-2019222431-A9 | Oxadiazole compounds | 20180516 |
EP-3793551-A1 | Oxadiazole compounds | 20180516 |
US-2021238154-A1 | Oxadiazole compounds | 20180516 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.01974964 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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