Basic information
- CAS
1003-32-3- Standard SMILES
O=Cc1cncs1- InChIKey
ZXRLWHGLEJGMNO-UHFFFAOYSA-N- Molecular formula
- C4H3NOS
- Average molar mass
- 113.14 g/mol
- Monoisotopic mass
- 112.99353472
Names & identifiers
- Preferred name
- 1,3-Thiazole-5-carbaldehyde
- IUPAC
- 1,3-thiazole-5-carbaldehyde
- English name
- Thiazole-5-carboxaldehyde
- Molecular formula
- C4H3NOS
- Molecular weight
- 113.14
Names & synonyms
5-Thiazolecarboxaldehyde1,3-thiazole-5-carbaldehydeRefChem:415734627-142-11003-32-3Thiazole-5-carboxaldehydeThiazole-5-carbaldehydethiazole-5-carboxyaldehydeMFCD021795165-FORMYLTHIAZOLE1,3-Thiazole-5-carboxaldehyde5-Thiazolecarboxaldehyde, 95%
Show more names
5-Thiazolaldehyde5-Formylthiazole>5-Formyl-1,3-thiazolethiazol-5-carbaldehyde5-THIAOLECARBOXALDEHYDE5-thiazole formaldehyde
CS-D0828BDBM50486224AC-7648PS-3351HY-69015SY005766F0908EN300-65149
Database identifiers
- CAS
1003-32-3- PubChem CID
- 2773577
- DTXSID
DTXSID30378567- ChEMBL
CHEMBL2228158- EC Number
- 627-142-1
- Nikkaji
- J697.227F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 76.1
Physicochemical properties
- Melting point
- 229 °C · 229 °C (decomp)
- Boiling point
- 92 · 92-94 °C/16 mmHg
- Density
- 1.304 g/mL · 1.304 g/mL at 25 °C
- refractive index
- 1.5874 · 1.5874
- Flash point
- 98 °C · 98 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- pka
- 0.94 · 0.94±0.10(Predicted)
- color
- White or Colorless to Yellow
- InChI
- InChI=1S/C4H3NOS/c6-2-4-1-5-3-7-4/h1-3H
- InChIKey
- ZXRLWHGLEJGMNO-UHFFFAOYSA-N
- SMILES
- S1C(C=O)=CN=C1
- CAS DataBase Reference
- 1003 · 1003-32-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29341000
- risk_code
- 36/37/38-43-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesThiazole-5-carboxaldehyde is used in the synthesis of imidazoles with cardiomyocyte proliferation activity for heart disease treatments.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
48 records
Compound notes
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