2-Amino-1,3-thiazole-5-carboxylic acid

HCID 315243

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Basic information

CAS: 40283-46-3
Standard SMILES: Nc1ncc(C(=O)O)s1
InChIKey: ZFMRDDYYJJCBKC-UHFFFAOYSA-N
Molecular formula: C4H4N2O2S
Average molar mass: 144.15 g/mol
Monoisotopic mass: 143.99934855

Names & identifiers

Preferred name: 2-Amino-1,3-thiazole-5-carboxylic acid
IUPAC: 2-amino-1,3-thiazole-5-carboxylic acid
English name: 2-Aminothiazole-5-carboxylic acid
Molecular formula: C4H4N2O2S
Molecular weight: 144.15

Names & synonyms

2-amino-1,3-thiazole-5-carboxylic acidRefChem:462935609-810-42-Aminothiazole-5-carboxylic acid40283-46-32-amino-5-thiazolecarboxylic acid5-Thiazolecarboxylic acid, 2-amino-MFCD062035542-Aminothiazole-5-carboxylicAcidNSC239729aminothiazole 5-carboxylic acidSCHEMBL1631557

Show more names

RARECHEM AL BE 12632-Amino-5-carboxy-1,3-thiazole2-Aminothizole-5-carboxylic acidHeterocyclic coMpounds / Pyrazole2-AMINOTHIAZOL-5-YLCARBOXYLIC ACID2-Aminothiazole-5-carboxylic acid, >=98%

DTXSID30311171ALBB-022659SBB066572AKOS010056916AB23200AC-3089CS-W003268FA36283

Database identifiers

CAS: 40283-46-3
PubChem CID: 315243
DTXSID: DTXSID30311171
EC Number: 609-810-4
Nikkaji: J371.673B

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 214 · 214-216
Boiling point: 415 · 415.0±18.0 °C(Predicted)
Density: 1.657 · 1.657±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 2.14 · 2.14±0.10(Predicted)
form: Crystalline Powder
color: Off-white to yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
Hazard Note: Irritant/Keep Cold
HS Code: 29341000 · 29341000

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+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.；Reported as not meeting GHS hazard criteria per 1 of 43 reports by companies.；There are 3 notifications provided by 42 of 43 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.