Basic information
- CAS
50591-78-1- Standard SMILES
Cc1nnc(NCc2ccccc2)s1- InChIKey
NZKFOTZQIJUAHK-UHFFFAOYSA-N- Molecular formula
- C10H11N3S
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.06736835
Names & identifiers
- Preferred name
- N-benzyl-5-methyl-1,3,4-thiadiazol-2-amine
- IUPAC
- N-benzyl-5-methyl-1,3,4-thiadiazol-2-amine
- English name
- 1,3,4-Thiadiazol-2-amine, 5-methyl-N-(phenylmethyl)-
- Molecular formula
- C10H11N3S
- Molecular weight
- 205.28
Names & synonyms
N-benzyl-5-methyl-1,3,4-thiadiazol-2-amine50591-78-1SCHEMBL11508630DTXSID10424218NZKFOTZQIJUAHK-UHFFFAOYSA-NAKOS009142380N-(5-methyl-1,3,4-thiadiazol-2-yl)-benzylamine1,3,4-Thiadiazol-2-amine, 5-methyl-N-(phenylmethyl)-
Database identifiers
- CAS
50591-78-1- PubChem CID
- 6460923
- DTXSID
DTXSID10424218
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 359.5 · 359.5±35.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
5 records
Compound notes
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