Basic information
- CAS
25468-22-8- Standard SMILES
Nc1nnc(-c2ccccn2)s1- InChIKey
XRSWPYZJJLNMNK-UHFFFAOYSA-N- Molecular formula
- C7H6N4S
- Average molar mass
- 178.22 g/mol
- Monoisotopic mass
- 178.03131738
Names & identifiers
- Preferred name
- Pyridine, 3-(5-amino-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
- English name
- 5-(3-Pyridyl)-1,3,4-thiadiazol-2-amine
- Molecular formula
- C7H6N4S
- Molecular weight
- 178.22
Names & synonyms
5-(pyridin-2-yl)-1,3,4-thiadiazol-2-amine25468-22-8L 1473BRN 0145024Pyridine, 3-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2-Amino-1,3,4-thiadiazol-5-yl)pyridine3-(5-Amino-1,3,4-thiadiazol-2-yl)pyridine2-Amino-5-(3-piridil)-1,3,4-tiadiazolo [Italian]2-Amino-5-(3-piridil)-1,3,4-tiadiazoloDTXSID401801534-27-00-09442 (Beilstein Handbook Reference)RefChem:870643
Show more names
I-14735-(3-Pyridyl)-1,3,4-thiadiazol-2-amine
DTXCID50102644860-034-45-pyridin-2-yl-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazol-2-amine, 5-(2-pyridinyl)-2-Amino-5-(2-pyridyl)-1,3,4-thiadiazoleSCHEMBL8143194ABA46822MFCD05740063
Database identifiers
- CAS
25468-22-8- PubChem CID
- 199035
- DTXSID
DTXSID40180153- EC Number
- 860-034-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 125 °C · 125 °C(Solvent: Ethanol)
- Boiling point
- 397.919 · 397.919±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.183 · 2.183±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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