Name: Name:Benzonitrile, 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-
Brand: Angene
SKU: AG0028RO
Rating: 90 (10 reviews)

Benzonitrile, 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-

CAS No.:

203268-77-3

Catalog Number:

AG0028RO

Molecular Formula:

C9H5N3OS

Molecular Weight:

203.2205

Catalog Number:

AG0028RO

Chemical Name:

Benzonitrile, 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-

CAS Number:

203268-77-3

Molecular Formula:

C9H5N3OS

Molecular Weight:

203.2205

MDL Number:

MFCD10690515

IUPAC Name:

3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzonitrile

InChI:

InChI=1S/C9H5N3OS/c10-5-6-2-1-3-7(4-6)8-11-12-9(14)13-8/h1-4H,(H,12,14)

InChI Key:

WGDXWQZBXRKGBU-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)c1nnc(o1)S

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.219g/mol

Monoisotopic Mass:

203.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7