Name: Name:3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzaldehyde
Brand: Angene
SKU: AG019IWK
Rating: 90 (10 reviews)

3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzaldehyde

CAS No.:

733030-93-8

Catalog Number:

AG019IWK

Molecular Formula:

C14H7N3O5S2

Molecular Weight:

361.3525

Catalog Number:

AG019IWK

Chemical Name:

3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzaldehyde

CAS Number:

733030-93-8

Molecular Formula:

C14H7N3O5S2

Molecular Weight:

361.3525

MDL Number:

MFCD04635884

IUPAC Name:

3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzaldehyde

InChI:

InChI=1S/C14H7N3O5S2/c18-7-8-1-4-12(11(5-8)17(21)22)23-14-15-10-3-2-9(16(19)20)6-13(10)24-14/h1-7H

InChI Key:

RIJLHZQEHJVEFT-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nc2c(s1)cc(cc2)[N+](=O)[O-]

Complexity:

512

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.983g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.346g/mol

Monoisotopic Mass:

360.983g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

175A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9