CAS 3581-89-3 5-Methylthiazole (HCID 137980)

Names & identifiers

Preferred name: 5-Methylthiazole
IUPAC: 5-methyl-1,3-thiazole
English name: 5-Methylthiazole
Molecular formula: C4H5NS
Molecular weight: 99.15

Names & synonyms

5-Methylthiazole5-Methyl-1,3-thiazoleThiazole, 5-methyl-DTXSID80189347RefChem:537348DTXCID10111838626-260-03581-89-35-methyl-thiazoleMFCD000053355-methyl thiazole5-Methylthiazole, 97%

Show more names

5-Methylthiazole>5-Methylthiazole 97%5-Methylthiazole,97%

SCHEMBL472035-Methyl-1,3-thiazole #SCHEMBL129340SCHEMBL177985orb3023394SCHEMBL1474225SCHEMBL9903321SBB055804

Database identifiers

CAS: 3581-89-3
PubChem CID: 137980
DTXSID: DTXSID80189347
EC Number: 626-260-0
Nikkaji: J129.798H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 46

Physicochemical properties

Melting point: -40.3 °C · -40.3°C
Boiling point: 141 · 141-142 °C/745 mmHg (lit.)
Density: 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.528(lit.)
Flash point: 108 °F · 108 °F
storage temp.: Sealed in dry,Room Temperature
pka: 1 · pK1:3.03(+1) (25°C,μ=0.1)
form: Liquid
color: Clear colorless to pale yellow
Water Solubility: Insoluble in water.
BRN: 104674 · 104674
InChI: 1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3
InChIKey: RLYUNPNLXMSXAX-UHFFFAOYSA-N
SMILES: Cc1cncs1
LogP: 0.739 · 0.739 (est)
CAS DataBase Reference: 3581 · 3581-89-3(CAS DataBase Reference)
NIST Chemistry Reference: 5 · Thiazole, 5-methyl-(3581-89-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
HS Code: 2934.1 · 2934.10.9000
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 2934.10.9000
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses5-methyl thiazole undergoes alkylation with n-butyl bromide followed by anion exchange of Br- for BF4- to yeild mobile, room-temperature ionic liquids.

General DescriptionThe microwave spectrum of 5-methylthiazole was investigated by employing both Fourier transform and Stark spectroscopy. 5-methyl thiazole undergoes alkylation with n-butyl bromide followed by anion exchange of Br- for BF4- to give mobile, room-temperature ionic liquids.

Upstream & downstream products

Upstream raw materials

Methanamine, N-propylidene-, (E)- (9CI)2-bromopropan-1-ol 5-Methyl-isothiazole 2-Chloro-5-methylthiazole 1,2-Propadiene, 1-isothiocyanato-CHLORIDE STANDARD 2-Amino-5-methylthiazole LITHIUM TETRACHLOROAURATE(III)2-BROMO-PROPIONALDEHYDE L-Cysteine THIOFORMAMIDE

Downstream products

5-methyl-2-(1,4-dioxane-2-yl)thiazole 5-Methyl-2-phenylthiazole 2-Thiazolemethanol, α,5-dimethyl-

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

110 records

New reaction record

HRID 104679As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149972As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 158116As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167086As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180853As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 185275As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 215538As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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Basic information