Basic information
- CAS
66030-27-1- Standard SMILES
Nc1nnc(CCC(=O)O)s1- InChIKey
RTWZBJXCDVCSSL-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2S
- Average molar mass
- 173.2 g/mol
- Monoisotopic mass
- 173.02589765
Names & identifiers
- Preferred name
- 3-(5-Amino-1,3,4-thiadiazol-2-yl)propanoic acid
- IUPAC
- 3-(5-amino-1,3,4-thiadiazol-2-yl)propanoic acid
- English name
- ASINEX-REAG BAS 10153181
- Molecular formula
- C5H7N3O2S
- Molecular weight
- 173.19
Names & synonyms
3-(5-Amino-1,3,4-thiadiazol-2-yl)propanoic acid66030-27-1DTXSID30342440RefChem:274919DTXCID902935203-(5-Amino-[1,3,4]thiadiazol-2-yl)-propionic acidASINEX-REAG BAS 101531813-(amino-[1,3,4]thiadiazol-2-yl)-propionic acid3-(5-Amino-1,3,4-thiadiazol-2-yl)propionic acidSCHEMBL2640913RTWZBJXCDVCSSL-UHFFFAOYSA-NRCA03027
Show more names
1,3,4-Thiadiazole-2-propanoic acid, 5-amino-
AKOS000303379ST072497CS-0234739EN300-1465983-(5-Amino-1,3,4-thiadiazol-2-yl)propanoicacid3-(5-Amino-1,3,4-thiadiazol-2-yl)propanoic acid #Z274514086
Database identifiers
- CAS
66030-27-1- PubChem CID
- 581815
- DTXSID
DTXSID30342440- EC Number
- 172-424-5
- Nikkaji
- J1.402.908G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 247 °C · 247 °C (decomp)
- Boiling point
- 442.3 · 442.3±47.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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, 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_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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