Name: Name:6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Brand: Angene
SKU: AG00376I
Rating: 90 (10 reviews)

6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

CAS No.:

49681-96-1

Catalog Number:

AG00376I

Molecular Formula:

C8H5BrN2OS

Molecular Weight:

257.1071

Catalog Number:

AG00376I

Chemical Name:

6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

CAS Number:

49681-96-1

Molecular Formula:

C8H5BrN2OS

Molecular Weight:

257.1071

MDL Number:

MFCD08706211

IUPAC Name:

6-bromo-2-sulfanylidene-1H-quinazolin-4-one

InChI:

InChI=1S/C8H5BrN2OS/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)

InChI Key:

HZLUVUSKGFGJGS-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)c(=O)[nH]c(=S)[nH]2

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.931g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.105g/mol

Monoisotopic Mass:

255.931g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1