Methyl 1,3-thiazole-4-carboxylate

HCID 2773414CAS 59418-09-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cscn1
InChIKey
KUWWRNNYEYGSBQ-UHFFFAOYSA-N
Molecular formula
C5H5NO2S
Average molar mass
143.17 g/mol
Monoisotopic mass
143.0040994

Names & identifiers

Preferred name
Methyl 1,3-thiazole-4-carboxylate
IUPAC
methyl 1,3-thiazole-4-carboxylate
English name
Methyl 4-thiazolecarboxylate
Molecular formula
C5H5NO2S
Molecular weight
143.16

Names & synonyms

methyl 1,3-thiazole-4-carboxylateRefChem:812490640-166-759418-09-6Methyl thiazole-4-carboxylateMETHYL 4-THIAZOLECARBOXYLATEMethyl4-thiazolecarboxylateMFCD064109404-THIAZOLECARBOXYLIC ACID, METHYL ESTERMethylthiazole-4-carboxylateSCHEMBL269086AKOS009159290
Show more names
4-(Methoxycarbonyl)-1,3-thiazole2-Methyl-1,3-thiazole-4-carboxylateMethyl1,3-thiazole-4-carboxylate97%Methyl 1,3-thiazole-4-carboxylate 98%
AB25133PS-5460EN300-1707177AMY9336KUWWRNNYE4-carbomethoxythiazoleA8358THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER

Database identifiers

CAS
59418-09-6
PubChem CID
2773414
DTXSID
DTXSID70378445
EC Number
640-166-7
Nikkaji
J2.620.310D

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Melting point
38 · 38-42
Boiling point
129 · 129-130 °C(Press: 17 Torr)
Density
1.301 · 1.301±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
0.24 · 0.24±0.10(Predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2934100090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H315-H319-H335

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers50 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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