2,5-Dichloro-3-methylthiophene - CAS 17249-90-0
Catalog: |
BB012829 |
Product Name: |
2,5-Dichloro-3-methylthiophene |
CAS: |
17249-90-0 |
Synonyms: |
2,5-dichloro-3-methylthiophene |
IUPAC Name: | 2,5-dichloro-3-methylthiophene |
Description: | 2,5-Dichloro-3-methylthiophene (CAS# 17249-90-0) is a useful research chemical. |
Molecular Weight: | 167.06 |
Molecular Formula: | C5H4Cl2S |
Canonical SMILES: | CC1=C(SC(=C1)Cl)Cl |
InChI: | InChI=1S/C5H4Cl2S/c1-3-2-4(6)8-5(3)7/h2H,1H3 |
InChI Key: | BUWSFDLUTRHPBO-UHFFFAOYSA-N |
Boiling Point: | 185.5 °C at 760 mmHg |
Density: | 1.3309 g/cm3 |
MDL: | MFCD00022490 |
LogP: | 3.36330 |
GHS Hazard Statement: | H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021110135-A1 | Crystal form as inhibitor of acc1 and acc2, and preparation method therefor and use thereof | 20191205 |
WO-2021110138-A1 | Crystal form of thieno[2,3-c]pyridazine-4(1h)-one compound, preparation method therefor and use thereof | 20191205 |
WO-2021097039-A1 | Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof | 20191115 |
WO-2020252151-A1 | Cot modulators and methods of use thereof | 20190614 |
US-2021061831-A1 | Cot modulators and methods of use thereof | 20190614 |
Complexity: | 86.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.9410767 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.9410767 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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