Name: Name:Methanone, (2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)-2-thienyl-
Brand: Angene
SKU: AG002YFN
Rating: 90 (10 reviews)

Methanone, (2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)-2-thienyl-

CAS No.:

29462-24-6

Catalog Number:

AG002YFN

Molecular Formula:

C13H13NOS2

Molecular Weight:

263.3784

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Purity

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Product Description

Catalog Number:

AG002YFN

Chemical Name:

Methanone, (2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)-2-thienyl-

CAS Number:

29462-24-6

Molecular Formula:

C13H13NOS2

Molecular Weight:

263.3784

MDL Number:

MFCD06373461

IUPAC Name:

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-thiophen-2-ylmethanone

InChI:

InChI=1S/C13H13NOS2/c14-13-11(12(15)10-6-3-7-16-10)8-4-1-2-5-9(8)17-13/h3,6-7H,1-2,4-5,14H2

InChI Key:

PLVGUPYLMPDNAR-UHFFFAOYSA-N

SMILES:

Nc1sc2c(c1C(=O)c1cccs1)CCCC2

Properties

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.373g/mol

Monoisotopic Mass:

263.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101