7-Bromo-3,4-dihydrobenzo[b]thiepin-5(2H)-one - CAS 15084-55-6
Catalog: |
BB010582 |
Product Name: |
7-Bromo-3,4-dihydrobenzo[b]thiepin-5(2H)-one |
CAS: |
15084-55-6 |
Synonyms: |
7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one; 7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one |
IUPAC Name: | 7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one |
Description: | 7-Bromo-3,4-dihydrobenzo[b]thiepin-5(2H)-one (CAS# 15084-55-6) is a useful research chemical. |
Molecular Weight: | 257.15 |
Molecular Formula: | C10H9BrOS |
Canonical SMILES: | C1CC(=O)C2=C(C=CC(=C2)Br)SC1 |
InChI: | InChI=1S/C10H9BrOS/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6H,1-2,5H2 |
InChI Key: | RTRHFNSMIKVOHZ-UHFFFAOYSA-N |
LogP: | 3.51770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2010137620-A1 | Phenoxyethylamine derivative | 20090527 |
AU-1683099-A | Anilide derivative, production and use thereof | 19971219 |
AU-1683199-A | Pharmaceutical composition for antagonizing ccr5 comprising anilide derivative | 19971219 |
AU-742077-B2 | Anilide derivative, production and use thereof | 19971219 |
AU-748064-B2 | Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative | 19971219 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.95575 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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