5-[1-(4-Chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
Basic information
- CAS
78784-06-2- Standard SMILES
CC(Oc1ccc(Cl)cc1)c1nnc(N)s1- InChIKey
HTYDEDHDFUUPIN-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3OS
- Average molar mass
- 255.72 g/mol
Names & identifiers
- Preferred name
- 5-[1-(4-Chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
- English name
- 5-[1-(4-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
- Molecular formula
- C10H10ClN3OS
- Molecular weight
- 255.72
Names & synonyms
78784-06-25-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine5-[1-(4-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine5-(1-(4-chlorophenoxy)ethyl)-1,3,4-thiadiazol-2-amine5-[(4-chlorophenoxy)ethyl]-1,3,4-thiadiazole-2-ylamineHTYDEDHDFUUPIN-UHFFFAOYSA-NMFCD06742803SCHEMBL11385461SBB012000AKOS000273649AKOS016040542NS-03882
Show more names
TIMTEC-BB SBB012000OTAVA-BB BB7119750106ASINEX-REAG BAS 073408061,3,4-Thiadiazol-2-amine, 5-[1-(4-chlorophenoxy)ethyl]-
ST073696DB-087962CS-0331048AS-871/43232843F2109-00205-[1-(4-chlorophenoxy) ethyl]-2-amino-1,3,4-thiadiazole5-[1-(4-chlorophenoxy)ethyl]-2-amino-1,3,4-thiadiazole
Database identifiers
- CAS
78784-06-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 437.7 · 437.7±51.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 2.92 · 2.92±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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