5-[(4-Methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
Basic information
- CAS
63617-18-5- Standard SMILES
COc1ccc(Cc2nnc(N)s2)cc1- InChIKey
GYXJNPCMLREPTE-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 5-[(4-Methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
- English name
- 5-(4-Methoxy-benzyl)-[1,3,4]thiadiazol-2-ylamine
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine5-((4-methoxyphenyl)methyl)-1,3,4-thiadiazol-2-amineRefChem:528711964-979-45-(4-methoxybenzyl)-1,3,4-thiadiazol-2-amine63617-18-55-(4-Methoxy-benzyl)-[1,3,4]thiadiazol-2-ylamineMFCD010442571,3,4-Thiadiazol-2-amine, 5-[(4-methoxyphenyl)methyl]-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-ylamine5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazole-2-ylamineCBMicro_023610
Show more names
ASISCHEM D51198VITAS-BB TBB000127TIMTEC-BB SBB011474[1,3,4]Thiadiazole, 2-amino-5-(4-methoxybenzyl)-
Oprea1_227208Oprea1_587652MLS000529606CHEMBL1409684SCHEMBL10007616DTXSID20355423HMS2381I19ALBB-009372
Database identifiers
- CAS
63617-18-5- PubChem CID
- 800231
- DTXSID
DTXSID20355423- ChEMBL
CHEMBL1409684- EC Number
- 964-979-4
Properties
Computed structural properties
- 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
- 197
Physicochemical properties
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
Related reactions
2 records
Compound notes
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