2-chloro-N-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)aniline
Basic information
- CAS
5422-18-4- Standard SMILES
Clc1ccccc1NCSC1=NCCS1- InChIKey
DPBCAVBEWNRTAM-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2S2
- Average molar mass
- 258.8 g/mol
- Monoisotopic mass
- 258.0052184
Names & identifiers
- Preferred name
- 2-chloro-N-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)aniline
- IUPAC
- 2-chloro-N-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)aniline
Names & synonyms
MLS0026378715422-18-4NSC6168DTXSID50969193HMS3078C07NSC-6168SMR0015473832-Chloro-N-{[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}aniline
Database identifiers
- CAS
5422-18-4- PubChem CID
- 221504
- DTXSID
DTXSID50969193
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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