Name: Name:1-[(5-bromothiophen-2-yl)methyl]piperazine
Brand: Angene
SKU: AG00I9DI
Rating: 90 (10 reviews)

1-[(5-bromothiophen-2-yl)methyl]piperazine

CAS No.:

523981-55-7

Catalog Number:

AG00I9DI

Molecular Formula:

C9H13BrN2S

Molecular Weight:

261.1819

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Product Description

Catalog Number:

AG00I9DI

Chemical Name:

1-[(5-bromothiophen-2-yl)methyl]piperazine

CAS Number:

523981-55-7

Molecular Formula:

C9H13BrN2S

Molecular Weight:

261.1819

MDL Number:

MFCD05189252

IUPAC Name:

1-[(5-bromothiophen-2-yl)methyl]piperazine

InChI:

InChI=1S/C9H13BrN2S/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2

InChI Key:

STQKVDLGECMYRM-UHFFFAOYSA-N

SMILES:

Brc1ccc(s1)CN1CCNCC1

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.181g/mol

Monoisotopic Mass:

259.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501