Methyl 2-aminothiazole-5-carboxylate

HCID 238005
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Basic information

CAS
6633-61-0
Standard SMILES
COC(=O)c1cnc(N)s1
InChIKey
UJNNCGWBDJHCEM-UHFFFAOYSA-N
Molecular formula
C5H6N2O2S
Average molar mass
158.18 g/mol
Monoisotopic mass
158.01499861

Names & identifiers

Preferred name
Methyl 2-aminothiazole-5-carboxylate
IUPAC
methyl 2-amino-1,3-thiazole-5-carboxylate
English name
Methyl 2-aminothiazole-5-carboxylate
Molecular formula
C5H6N2O2S
Molecular weight
158.18

Names & synonyms

Methyl 2-aminothiazole-5-carboxylateDTXSID60285518RefChem:814122DTXCID40236669640-111-76633-61-0Methyl 2-amino-1,3-thiazole-5-carboxylateMFCD037885625-THIAZOLECARBOXYLIC ACID, 2-AMINO-, METHYL ESTERSCHEMBL33099MLS0026083652-amino-5-carbomethoxy-thiazole
Show more names
NSC 42123RARECHEM AL BF 12632-aminothiazole-5-carboxylate2-aminothiazole-5-methyl formate2-AMino-5-(Methoxycarbonyl)thiazoleMethyl 2-AMino-5-thiazolecarboxylateMethyl 2-Aminothioazole-5-carboxylate2-Amino-5-(methoxycarbonyl)-1,3-thiazoleMethyl 2-Aminothiazole-5-carboxylate >
2-aminothiazole-5-carboxylic acid methyl esterHMS3078M17FS-2685BP-10836Methyl 2-imino-2,3-dihydrothiazole-5-carboxylateMethyl 2-imino-2,3-dihydro-1,3-thiazole-5-carboxylateMethyl2-aminothiazole-5-carboxylateNSC42123

Database identifiers

CAS
6633-61-0
PubChem CID
238005
DTXSID
DTXSID60285518
ChEMBL
CHEMBL1886840
EC Number
640-111-7

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
93.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
182 · 182-186°C
Boiling point
298.7 · 298.7±13.0 °C(Predicted)
Density
1.408 · 1.408±0.06 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
DMSO (Slightly), Methanol (Slightly)
pka
3.02 · 3.02±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)

Safety data

hs_code
29349990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_note
Harmful
safety_code
26-36/37/39

Chemistry & industry

Applications

UsesMethyl 2-Aminothiazole-5-carboxylate (cas# 6633-61-0) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

33 records
New reaction record

Compound notes

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