2-Acetyl-3-aminothiophene - CAS 31968-33-9
Catalog: |
BB021117 |
Product Name: |
2-Acetyl-3-aminothiophene |
CAS: |
31968-33-9 |
Synonyms: |
1-(3-aminothiophen-2-yl)ethanone |
IUPAC Name: | 1-(3-aminothiophen-2-yl)ethanone |
Description: | 2-Acetyl-3-aminothiophene (CAS# 31968-33-9 ) is a useful research chemical. |
Molecular Weight: | 141.19 |
Molecular Formula: | C6H7NOS |
Canonical SMILES: | CC(=O)C1=C(C=CS1)N |
InChI: | InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3 |
InChI Key: | MMLSKDGCLMDHAJ-UHFFFAOYSA-N |
Boiling Point: | 120-125 °C / 0.8 mmHg |
Density: | 1.252 g/cm3 |
MDL: | MFCD00052585 |
LogP: | 2.11410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021043329-A | A resin composition for a negative cationic electrodeposition photoresist and a coating film formed by electrodeposition coating on the resin composition. | 20190911 |
JP-6912832-B2 | A resin composition for a negative cationic electrodeposition photoresist and a coating film formed by electrodeposition coating on the resin composition. | 20190911 |
WO-2020161208-A1 | Herbicidal fused pyridazine compounds | 20190206 |
WO-2020161209-A1 | Herbicidal fused pyridazine compounds | 20190206 |
US-2016235727-A1 | Novel pyrrolidine derived beta 3 adrenergic receptor agonists | 20131003 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.02483502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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