5-(ethylthio)thiophene-2-carboxylic acid - CAS 101861-40-9
Catalog: |
BB000680 |
Product Name: |
5-(ethylthio)thiophene-2-carboxylic acid |
CAS: |
101861-40-9 |
Synonyms: |
5-ethylsulfanylthiophene-2-carboxylic acid |
IUPAC Name: | 5-ethylsulfanylthiophene-2-carboxylic acid |
Description: | 5-(ethylthio)thiophene-2-carboxylic acid (CAS# 101861-40-9) is a useful research chemical. |
Molecular Weight: | 188.27 |
Molecular Formula: | C7H8O2S2 |
Canonical SMILES: | CCSC1=CC=C(S1)C(=O)O |
InChI: | InChI=1S/C7H8O2S2/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9) |
InChI Key: | JELCXTWBBLAQMG-UHFFFAOYSA-N |
Boiling Point: | 345.6 °C at 760 mmHg |
Density: | 1.36 g/cm3 |
MDL: | MFCD00738671 |
LogP: | 2.55830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.99657184 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.99657184 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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