CAS 63257-03-4 Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate (HCID 1132801)

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Basic information

CAS: 63257-03-4
Standard SMILES: COC(=O)c1nc(N)sc1C
InChIKey: ZPFCEYUYBJVUED-UHFFFAOYSA-N
Molecular formula: C6H8N2O2S
Average molar mass: 172.21 g/mol
Monoisotopic mass: 172.03064868

Names & identifiers

Preferred name: Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
IUPAC: methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
English name: 2-Amino-5-methyl-thiazole-4-carboxylic acid methyl ester
Molecular formula: C6H8N2O2S
Molecular weight: 172.2

Names & synonyms

methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylateRefChem:814070804-007-7Methyl 2-amino-5-methylthiazole-4-carboxylate63257-03-4methyl 2-amino-5-methyl-thiazole-4-carboxylateMFCD040353512-amino-5-methyl-thiazole-4-carboxylic acid methyl esterDTXSID80360614STL303702SMR000337194CS-0061157

Show more names

2-Amino-4-(methoxycarbonyl)-5-methyl-1,3-thiazole4-Thiazolecarboxylicacid, 2-aMino-5-Methyl-, Methyl ester

Methyl 2-imino-5-methyl-2,3-dihydrothiazole-4-carboxylateMLS000763600SCHEMBL794531CHEMBL1698742ZPFCEYUYBJVUED-UHFFFAOYSA-NHMS2614D082-amino-5-methyl-thiazole-4-carbNCA25703

Database identifiers

CAS: 63257-03-4
PubChem CID: 1132801
DTXSID: DTXSID80360614
ChEMBL: CHEMBL1698742
EC Number: 804-007-7

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 93.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 301.3 · 301.3±22.0 °C(Predicted)
Density: 1.339 · 1.339±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: solid
pka: 2.94 · 2.94±0.10(Predicted)
Appearance: Light yellow to light brown Solid
InChI: InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)8-6(7)11-3/h1-2H3,(H2,7,8)
InChIKey: ZPFCEYUYBJVUED-UHFFFAOYSA-N
SMILES: S1C(C)=C(C(OC)=O)N=C1N
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.