Name: Name:Benzonitrile, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-5-nitro-
Brand: Angene
SKU: AG00207C
Rating: 90 (10 reviews)

Benzonitrile, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-5-nitro-

CAS No.:

175135-68-9

Catalog Number:

AG00207C

Molecular Formula:

C9H5N5O2S2

Molecular Weight:

279.2983

Catalog Number:

AG00207C

Chemical Name:

Benzonitrile, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-5-nitro-

CAS Number:

175135-68-9

Molecular Formula:

C9H5N5O2S2

Molecular Weight:

279.2983

MDL Number:

MFCD00067812

IUPAC Name:

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitrobenzonitrile

InChI:

InChI=1S/C9H5N5O2S2/c10-4-5-3-6(14(15)16)1-2-7(5)17-9-13-12-8(11)18-9/h1-3H,(H2,11,12)

InChI Key:

JNPWQAVABOYLKJ-UHFFFAOYSA-N

SMILES:

N#Cc1cc(ccc1Sc1nnc(s1)N)[N+](=O)[O-]

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.292g/mol

Monoisotopic Mass:

278.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

175A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: