3,4-Bis(chloromethyl)thiophene - CAS 18448-62-9
Catalog: |
BB014143 |
Product Name: |
3,4-Bis(chloromethyl)thiophene |
CAS: |
18448-62-9 |
Synonyms: |
3,4-bis(chloromethyl)thiophene; 3,4-bis(chloromethyl)thiophene |
IUPAC Name: | 3,4-bis(chloromethyl)thiophene |
Description: | 3,4-Bis(chloromethyl)thiophene (CAS# 18448-62-9 ) is a useful research chemical. |
Molecular Weight: | 181.08 |
Molecular Formula: | C6H6Cl2S |
Canonical SMILES: | C1=C(C(=CS1)CCl)CCl |
InChI: | InChI=1S/C6H6Cl2S/c7-1-5-3-9-4-6(5)2-8/h3-4H,1-2H2 |
InChI Key: | HRLQHOSRQDOYMF-UHFFFAOYSA-N |
LogP: | 3.22570 |
Publication Number | Title | Priority Date |
WO-2021115375-A1 | Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof | 20191211 |
AU-2009243756-A1 | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | 20080505 |
AU-2009243756-B2 | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | 20080505 |
CA-2723302-A1 | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | 20080505 |
CA-2723302-C | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | 20080505 |
Complexity: | 77.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.9567268 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.9567268 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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