Name: Name:2-(cyanosulfanyl)-1-(1H-indol-3-yl)ethan-1-one
Brand: Angene
SKU: AG01C3W9
Rating: 90 (10 reviews)

2-(cyanosulfanyl)-1-(1H-indol-3-yl)ethan-1-one

CAS No.:

932365-96-3

Catalog Number:

AG01C3W9

Molecular Formula:

C11H8N2OS

Molecular Weight:

216.2590

Catalog Number:

AG01C3W9

Chemical Name:

2-(cyanosulfanyl)-1-(1H-indol-3-yl)ethan-1-one

CAS Number:

932365-96-3

Molecular Formula:

C11H8N2OS

Molecular Weight:

216.2590

MDL Number:

MFCD24565236

IUPAC Name:

[2-(1H-indol-3-yl)-2-oxoethyl] thiocyanate

InChI:

InChI=1S/C11H8N2OS/c12-7-15-6-11(14)9-5-13-10-4-2-1-3-8(9)10/h1-5,13H,6H2

InChI Key:

MDNHLLQPPYPBBL-UHFFFAOYSA-N

SMILES:

N#CSCC(=O)c1c[nH]c2c1cccc2

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.258g/mol

Monoisotopic Mass:

216.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8