Name: Name:9-ethyl-3-isothiocyanato-9H-carbazole
Brand: Angene
SKU: AG019GUN
Rating: 90 (10 reviews)

9-ethyl-3-isothiocyanato-9H-carbazole

CAS No.:

95756-56-2

Catalog Number:

AG019GUN

Molecular Formula:

C15H12N2S

Molecular Weight:

252.3342

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Product Description

Catalog Number:

AG019GUN

Chemical Name:

9-ethyl-3-isothiocyanato-9H-carbazole

CAS Number:

95756-56-2

Molecular Formula:

C15H12N2S

Molecular Weight:

252.3342

MDL Number:

MFCD03478330

IUPAC Name:

9-ethyl-3-isothiocyanatocarbazole

InChI:

InChI=1S/C15H12N2S/c1-2-17-14-6-4-3-5-12(14)13-9-11(16-10-18)7-8-15(13)17/h3-9H,2H2,1H3

InChI Key:

ZDIOYNRRDHVBJM-UHFFFAOYSA-N

SMILES:

S=C=Nc1ccc2c(c1)c1ccccc1n2CC

Properties

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.335g/mol

Monoisotopic Mass:

252.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

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