Name: Name:1,3,4-Thiadiazole, 2-bromo-5-(1,1-dimethylethyl)-
Brand: Angene
SKU: AG004ITO
Rating: 90 (10 reviews)

1,3,4-Thiadiazole, 2-bromo-5-(1,1-dimethylethyl)-

CAS No.:

88370-06-3

Catalog Number:

AG004ITO

Molecular Formula:

C6H9BrN2S

Molecular Weight:

221.1181

Catalog Number:

AG004ITO

Chemical Name:

1,3,4-Thiadiazole, 2-bromo-5-(1,1-dimethylethyl)-

CAS Number:

88370-06-3

Molecular Formula:

C6H9BrN2S

Molecular Weight:

221.1181

MDL Number:

MFCD09965540

IUPAC Name:

2-bromo-5-tert-butyl-1,3,4-thiadiazole

InChI:

InChI=1S/C6H9BrN2S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3

InChI Key:

NTCALTKEJCVOMO-UHFFFAOYSA-N

SMILES:

CC(c1nnc(s1)Br)(C)C

Complexity:

123

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.967g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.116g/mol

Monoisotopic Mass:

219.967g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1