2-Amino-4-methyl-thiazole-5-carboxylic acid

HCID 832243CAS 67899-00-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(N)sc1C(=O)O
InChIKey: QCVFVGONDMKXEE-UHFFFAOYSA-N
Molecular formula: C5H6N2O2S
Average molar mass: 158.18 g/mol
Monoisotopic mass: 158.01499843

Names & identifiers

Preferred name: 2-Amino-4-methyl-thiazole-5-carboxylic acid
IUPAC: 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
English name: 2-Amino-4-methylthiazole-5-carboxylic acid
Molecular formula: C5H6N2O2S
Molecular weight: 158.18

Names & synonyms

2-Amino-4-methyl-thiazole-5-carboxylic acidRefChem:464328675-849-92-Amino-4-methylthiazole-5-carboxylic acid67899-00-72-amino-4-methyl-1,3-thiazole-5-carboxylic acidMFCD01853938Oprea1_443956SCHEMBL179966DTXSID10356767WLZ4029ALBB-004691

Show more names

AKOS BB-9207ASISCHEM A63072BUTTPARK 34\01-16TIMTEC-BB SBB0021415-Carboxy-4-methyl-1,3-thiazol-2-amine2-amino-4-methyl-5-thiazolecarboxylic acid5-Thiazolecarboxylic acid, 2-aMino-4-Methyl-

BBL005562SBB002141STK346806AKOS000303171AS-5520CS-W010897methyl 2-aminothiazol-5-carboxylic acidSY024592

Database identifiers

CAS: 67899-00-7
PubChem CID: 832243
DTXSID: DTXSID10356767
EC Number: 675-849-9
Nikkaji: J1.278.265I

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 166 · 166-170°C
Boiling point: 400.6 · 400.6±25.0 °C(Predicted)
Density: 1.532 · 1.532±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.13 · 2.13±0.37(Predicted)
form: solid
Appearance: Off-white to light yellow Solid
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.