2-Methyl-1,3-thiazole-4-carbaldehyde

HCID 2763191
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Basic information

CAS
20949-84-2
Standard SMILES
Cc1nc(C=O)cs1
InChIKey
AEHWVNPVEUVPMT-UHFFFAOYSA-N
Molecular formula
C5H5NOS
Average molar mass
127.17 g/mol
Monoisotopic mass
127.00918478

Names & identifiers

Preferred name
2-Methyl-1,3-thiazole-4-carbaldehyde
IUPAC
2-methyl-1,3-thiazole-4-carbaldehyde
English name
4-Formyl-2-methylthiazole
Molecular formula
C5H5NOS
Molecular weight
127.16

Names & synonyms

2-methyl-1,3-thiazole-4-carbaldehydeRefChem:474789687-053-94-Formyl-2-methylthiazole20949-84-22-methylthiazole-4-carbaldehyde4-thiazolecarboxaldehyde, 2-methyl-2-methylthiazole-4-carboxaldehydeMFCD066551972-Methyl-4-thiazolecarboxaldehyde2-methyl-4-formylthiazole2-methyl-4-formyl-thiazole
Show more names
IFLAB-BB F2124-06894-Formyl-2-methyl-1,3-thiazole2-Methyl-4-thiazolecarbaldehyde2-Methyl-1,3-thiazole-4-carboxaldehyde
AKOS000118579Z906621644-Thiazolecarboxaldehyde,2-methyl-AM20090176SCHEMBL1107430SCHEMBL11189602-methythiazole-4-carboxaldehydeDTXSID70376800

Database identifiers

CAS
20949-84-2
PubChem CID
2763191
DTXSID
DTXSID70376800
EC Number
687-053-9
Nikkaji
J277.208F

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
58.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
8

Physicochemical properties

Melting point
56 · 56-58
Boiling point
219 · 219.0±13.0 °C(Predicted)
Density
1.27 · 1.270±0.06 g/cm3(Predicted)
Flash point
110 ℃ · 110℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid

Safety & regulation

GHS classification

GHS Classification · 4 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
hs_code
2934100090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers100 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Related reactions

24 records
New reaction record

Compound notes

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