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4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride

4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride - CAS 443955-61-1

Name: 4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025592
Product Name:	4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride
CAS:	443955-61-1
Synonyms:	4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonyl chloride
Description:	4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride (CAS# 443955-61-1) is a useful research chemical.
Molecular Weight:	277.75
Molecular Formula:	C9H8ClNO3S2
Canonical SMILES:	C1CSC2=C(C=C(C=C2)S(=O)(=O)Cl)NC1=O
InChI:	InChI=1S/C9H8ClNO3S2/c10-16(13,14)6-1-2-8-7(5-6)11-9(12)3-4-15-8/h1-2,5H,3-4H2,(H,11,12)
InChI Key:	OGMMNAJRZGGJAT-UHFFFAOYSA-N
MDL:	MFCD13176389
LogP:	3.21430

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Related Functional Groups

Sulfur Compounds

[518012-62-9]C14H22O6S
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]C14H14O2S
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[874-87-3]C8H9ClS
4-(Methylthio)benzyl chloride
[15863-41-9]C8H7NS2
4-(Methylthio)phenyl isothiocyanate
[1005651-99-9]C12H17N5OS
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Publication Number	Title	Priority Date
DE-60221969-T2	BY A PIPERIDINE-CONTAINING UNIT AT POSITION 4 SUBSTITUTED CHINOLINES AND THEIR NITROGEN-CONTAINING DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS	20010122
EP-1359908-A1	Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents	20010122
EP-1359908-B1	Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents	20010122
JP-2004520360-A	Quinoline substituted at position 4 by a piperidine-containing moiety and its nitrogenated derivatives and their use as antibacterials	20010122
JP-2010024246-A	Quinoline substituted in position 4 by a piperidine-containing moiety and its nitrogenated derivatives and its use as an antibacterial agent	20010122

Complexity:	379
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.9634132
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.9634132
Rotatable Bond Count:	1
Topological Polar Surface Area:	96.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3