2-Pentylthiophene - CAS 4861-58-9
Catalog: |
BB026562 |
Product Name: |
2-Pentylthiophene |
CAS: |
4861-58-9 |
Synonyms: |
2-pentylthiophene; 2-pentylthiophene |
IUPAC Name: | 2-pentylthiophene |
Description: | 2-Pentylthiophene (CAS# 4861-58-9) is a useful research chemical. |
Molecular Weight: | 154.27 |
Molecular Formula: | C9H14S |
Canonical SMILES: | CCCCCC1=CC=CS1 |
InChI: | InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3 |
InChI Key: | NOYVOSGVFSEKPR-UHFFFAOYSA-N |
Boiling Point: | 202.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 0.944 g/cm3 |
Solubility: | 14.71 mg/L at 25 °C (est) |
Appearance: | Clear colourless liquid |
Storage: | Keep in dark place. Inert atmosphere. Room temperature. |
MDL: | MFCD00041017 |
LogP: | 3.48080 |
GHS Hazard Statement: | H302 (97.35%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112956672-A | Plant fried chicken flavor flavoring and preparation method and application thereof | 20210330 |
CN-112552277-A | Production method of penthiol used for medical intermediate synthesis | 20201210 |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
US-11065214-B1 | Combination therapies with disulfiram | 20200918 |
RU-2747051-C1 | Standard samples for metrological support of tests for measuring chemical stability of jet engine fuels (options) | 20200909 |
Complexity: | 80.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.08162162 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.08162162 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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