2-Bromo-1,3,4-thiadiazole
Properties
- Molecular formula
- C2HBrN2S
- Molar mass
- 165.01 g/mol
- Exact mass
- 163.9044 Da
- logP
- 1.30Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P501
Identifiers
CAS number
61929-24-6SMILES
C1=NN=C(S1)BrInChIKey
DQBCRVIBTFHJLM-UHFFFAOYSA-NInChI
InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1HCharacterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C2H2BrN2S 164.9117[M + Na]+
[M + Na]+ Calcd for C2HBrN2NaS 186.8936[M − H]−
[M − H]− Calcd for C2BrN2S 162.8971Elemental analysis
Anal. Calcd for C2HBrN2S: C, 14.56; H, 0.61; N, 16.98; S, 19.43.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Bromo-1,3,4-thiadiazole
Similar compounds
1,3,4-Thiadiazol-2-amine4005-51-042 % similar
2-Bromothiazole3034-53-536 % similar
2,4-Dibromothiazole4175-77-335 % similar
2-Bromo-4-methyl-1,3-thiazole7238-61-132 % similar
5-Bromothiazole3034-55-731 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.