3-bromo-5H-benzo[b][1,4]benzothiazepin-6-one

Modify Date: 2024-09-15 17:51:58

3-bromo-5H-benzo[b][1,4]benzothiazepin-6-one Structure
3-bromo-5H-benzo[b][1,4]benzothiazepin-6-one structure
Common Name 3-bromo-5H-benzo[b][1,4]benzothiazepin-6-one
CAS Number 935433-69-5 Molecular Weight 306.17800
Density N/A Boiling Point N/A
Molecular Formula C13H8BrNOS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-bromo-5H-benzo[b][1,4]benzothiazepin-6-one

 Chemical & Physical Properties

Molecular Formula C13H8BrNOS
Molecular Weight 306.17800
Exact Mass 304.95100
PSA 57.89000
LogP 3.98560
InChIKey AAPNIRAAONEABN-UHFFFAOYSA-N
SMILES O=C1Nc2cc(Br)ccc2Sc2ccccc21

 Safety Information

HS Code 2934999090

 Synthetic Route

~82%

3-bromo-5H-benzo[b][1,4]benzothiazepin-6-one Structure

3-bromo-5H-benz...

CAS#:935433-69-5

Literature: ACADIA PHARMACEUTICALS INC. Patent: WO2008/118141 A2, 2008 ; Location in patent: Page/Page column 111 ; WO 2008/118141 A2

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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