5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine
Basic information
- CAS
108656-65-1- Standard SMILES
Nc1nnc(-c2cccc(Br)c2)s1- InChIKey
GQKBSBAYTFZMIR-UHFFFAOYSA-N- Molecular formula
- C8H6BrN3S
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 254.94658
Names & identifiers
- Preferred name
- 5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(3-bromophenyl)-1,3,4-thiadiazol-2-amine
- English name
- 5-(3-Bromo-phenyl)-[1,3,4]thiadiazol-2-ylamine
- Molecular formula
- C8H6BrN3S
- Molecular weight
- 256.12
Names & synonyms
5-(3-bromophenyl)-1,3,4-thiadiazol-2-amine108656-65-1RefChem:299649MFCD015903381,3,4-Thiadiazol-2-amine, 5-(3-bromophenyl)-2-Amino-5-(3-bromophenyl)-1,3,4-thiadiazoleZINC5092455-(3-BROMO-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINEZINC00509245Brc1cccc(c1)c1nnc(s1)NSCHEMBL368725CHEMBL4214650
Show more names
GQKBSBAYTFZMIR-UHFFFAOYSA-NDTXSID201267639IEA65665BBL007664STK009657AKOS000224932AS-38718SY192046
Database identifiers
- CAS
108656-65-1- PubChem CID
- 921165
- DTXSID
DTXSID201267639- ChEMBL
CHEMBL4214650
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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