Name: Name:2-Benzoyl-4-(3-bromophenyl)-5-cyanimino-4,5-dihydro-1,3,4-thiadiazole
Brand: Angene
SKU: AG01F511
Rating: 90 (10 reviews)

2-Benzoyl-4-(3-bromophenyl)-5-cyanimino-4,5-dihydro-1,3,4-thiadiazole

CAS No.:

1000576-01-1

Catalog Number:

AG01F511

Molecular Formula:

C16H9BrN4OS

Molecular Weight:

385.2379

Catalog Number:

AG01F511

Chemical Name:

2-Benzoyl-4-(3-bromophenyl)-5-cyanimino-4,5-dihydro-1,3,4-thiadiazole

CAS Number:

1000576-01-1

Molecular Formula:

C16H9BrN4OS

Molecular Weight:

385.2379

MDL Number:

MFCD09877968

IUPAC Name:

[5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2-ylidene]cyanamide

InChI:

InChI=1S/C16H9BrN4OS/c17-12-7-4-8-13(9-12)21-16(19-10-18)23-15(20-21)14(22)11-5-2-1-3-6-11/h1-9H

InChI Key:

DQXPEWSEVVUTQH-UHFFFAOYSA-N

SMILES:

N#C/N=c/1\sc(nn1c1cccc(c1)Br)C(=O)c1ccccc1

Complexity:

576

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

383.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

385.239g/mol

Monoisotopic Mass:

383.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6