4-Bromo-2-methylthiophene - CAS 29421-92-9
Catalog: |
BB020195 |
Product Name: |
4-Bromo-2-methylthiophene |
CAS: |
29421-92-9 |
Synonyms: |
4-bromo-2-methylthiophene |
IUPAC Name: | 4-bromo-2-methylthiophene |
Description: | 4-Bromo-2-methylthiophene (CAS# 29421-92-9) is a useful research chemical. |
Molecular Weight: | 177.06 |
Molecular Formula: | C5H5BrS |
Canonical SMILES: | CC1=CC(=CS1)Br |
InChI: | InChI=1S/C5H5BrS/c1-4-2-5(6)3-7-4/h2-3H,1H3 |
InChI Key: | ABMUSXPGSSMPLK-UHFFFAOYSA-N |
Boiling Point: | 74-76 °C (20 mmHg) |
Purity: | 95 % |
Density: | 1.581 g/cm3 |
MDL: | MFCD04116367 |
LogP: | 2.81900 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2015239838-A1 | Compounds for Treatment of Complement Mediated Disorders | 20140225 |
WO-2015130854-A1 | Compounds for treatment of complement mediated disorders | 20140225 |
WO-2015127284-A2 | Antimitotic amides for the treatment of cancer and proliferative disorders | 20140221 |
EP-2886545-A1 | New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | 20131223 |
US-2015175623-A1 | Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | 20131223 |
PMID | Publication Date | Title | Journal |
17485250 | 20070801 | MGMT inhibitors--The Trinity College-Paterson Institute experience, a chemist's perception | DNA repair |
17150614 | 20050101 | Novel post DNA synthesis chemistry for preparing oligonucleotides containing O6-modified purines | Nucleic acids symposium series (2004) |
11708909 | 20011122 | Monosaccharide-linked inhibitors of O(6)-methylguanine-DNA methyltransferase (MGMT): synthesis, molecular modeling, and structure-activity relationships | Journal of medicinal chemistry |
Complexity: | 65.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.92953 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.92953 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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