Basic information
- CAS
176037-42-6- Standard SMILES
c1ccc(-c2csnn2)nc1- InChIKey
SOYISIZZTHPRSO-UHFFFAOYSA-N- Molecular formula
- C7H5N3S
- Average molar mass
- 163.2 g/mol
- Monoisotopic mass
- 163.02041835
Names & identifiers
- Preferred name
- 2-(4-1,2,3-Thiadiazolyl)pyridine
- IUPAC
- 4-pyridin-2-ylthiadiazole
- English name
- 2-(4-1,2,3-THIADIAZOLYL)PYRIDINE
- Molecular formula
- C7H5N3S
- Molecular weight
- 163.2
Names & synonyms
2-(4-1,2,3-Thiadiazolyl)pyridine176037-42-6DTXSID30372742RefChem:251884DTXCID303237742-(1,2,3-Thiadiazol-4-yl)pyridine4-pyridin-2-ylthiadiazoleMFCD011093884-(pyridin-2-yl)-1,2,3-thiadiazolePyridine, 2-(1,2,3-thiadiazol-4-yl)-pyridylthiadiazole4-(2-pyridyl)thiadiazole
Show more names
SCHEMBL3886461SCHEMBL7312962CHEMBL1631421SCHEMBL30661946AKOS0049044372-([1,2,3]ThiadiaZol-4-yl)pyridineAS-31772DB-291810
Database identifiers
- CAS
176037-42-6- PubChem CID
- 2748870
- DTXSID
DTXSID30372742- ChEMBL
CHEMBL1631421- Nikkaji
- J1.872.270D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 307.4 · 307.4±34.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- -0.14 · -0.14±0.19(Predicted)
- CAS DataBase Reference
- 176037 · 176037-42-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers2 total
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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