Benzothiophene-5-sulfonyl Chloride - CAS 128852-05-1
Catalog: |
BB006941 |
Product Name: |
Benzothiophene-5-sulfonyl Chloride |
CAS: |
128852-05-1 |
Synonyms: |
1-benzothiophene-5-sulfonyl chloride; 1-benzothiophene-5-sulfonyl chloride |
IUPAC Name: | 1-benzothiophene-5-sulfonyl chloride |
Description: | Benzothiophene-5-sulfonyl Chloride (CAS# 128852-05-1 ) is a useful research chemical. |
Molecular Weight: | 232.71 |
Molecular Formula: | C8H5ClO2S2 |
Canonical SMILES: | C1=CC2=C(C=CS2)C=C1S(=O)(=O)Cl |
InChI: | InChI=1S/C8H5ClO2S2/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-5H |
InChI Key: | GBTJHYDVNAYQMM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 4.05070 |
Publication Number | Title | Priority Date |
CA-2456096-A1 | Novel amine derivative having human .beta.-tryptase inhibitory activity and medecine containing the same | 20010801 |
EP-1445250-A1 | Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same | 20010801 |
JP-WO2003011812-A1 | Novel amine derivative having human-β-tryptase inhibitory activity and medicament containing the same | 20010801 |
US-2005043304-A1 | Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same | 20010801 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.9419494 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.9419494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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