5-(2-Methoxybenzyl)-1,3,4-thiadiazol-2-amine
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Basic information
- CAS
299936-70-2- Standard SMILES
COc1ccccc1Cc1nnc(N)s1- InChIKey
GJXNLMJPQNHNDL-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 5-(2-Methoxybenzyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
- English name
- 5-(2-METHOXY-BENZYL)-[1,3,4]THIADIAZOL-2-YLAMINE
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
299936-70-25-(2-methoxybenzyl)-1,3,4-thiadiazol-2-amine5-(2-Methoxy-benzyl)-[1,3,4]thiadiazol-2-ylamine5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amineMFCD026640782-Amino-5-(2-methoxybenzyl)-1,3,4-thiadiazole1,3,4-thiadiazol-2-amine, 5-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazole-2-ylamineSCHEMBL11324576TIMTEC-BB SBB011472DTXSID301219669ALBB-009386
Show more names
BBL002956SBB011472STK500412AKOS000300928ASINEX-REAG BAS 01917164SY318546VS-01271CS-0314141
Database identifiers
- CAS
299936-70-2- PubChem CID
- 3135845
- DTXSID
DTXSID301219669
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 408 · 408.0±47.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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