5-Phenyl-1,2,3-thiadiazole
Basic information
- CAS
18212-29-8- Standard SMILES
c1ccc(-c2cnns2)cc1- InChIKey
MXTVVTVVBOYKCU-UHFFFAOYSA-N- Molecular formula
- C8H6N2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.02516937
Names & identifiers
- Preferred name
- 5-Phenyl-1,2,3-thiadiazole
- IUPAC
- 5-phenylthiadiazole
- English name
- 5-PHENYL-1,2,3-THIADIAZOLE
- Molecular formula
- C8H6N2S
- Molecular weight
- 162.21
Names & synonyms
5-Phenyl-1,2,3-thiadiazole18212-29-81,2,3-Thiadiazole, 5-phenyl-EINECS 242-097-4DTXSID50171254RefChem:103379DTXCID7093745242-097-4MXTVVTVVBOYKCU-UHFFFAOYSA-N5-phenylthiadiazole5-Phenyl-[1,2,3]thiadiazoleMFCD00014090
Show more names
NISTC18212298
SCHEMBL69348CHEMBL445639SCHEMBL2204601SCHEMBL6721322SCHEMBL6990979SBB087631AKOS006281267AS-59498
Database identifiers
- CAS
18212-29-8- PubChem CID
- 87512
- DTXSID
DTXSID50171254- ChEMBL
CHEMBL445639- EC Number
- 242-097-4
- Nikkaji
- J266.059H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 53 °C · 53 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 100 · 100-110 °C(Press: 0.1 Torr)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- -3.79 · -3.79±0.32(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- 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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