Basic information
- CAS
5053-24-7- Standard SMILES
CSc1nccs1- InChIKey
VQNOAXZUEKPSJC-UHFFFAOYSA-N- Molecular formula
- C4H5NS2
- Average molar mass
- 131.2 g/mol
- Monoisotopic mass
- 130.98634151
Names & identifiers
- Preferred name
- 2-(Methylthio)thiazole
- IUPAC
- 2-methylsulfanyl-1,3-thiazole
- English name
- 2-(Methylthio)thiazole
- Molecular formula
- C4H5NS2
- Molecular weight
- 131.22
Names & synonyms
2-(Methylthio)thiazole5053-24-7DTXSID60375024RefChem:254391DTXCID40326054627-589-22-Methylthiothiazole2-(methylsulfanyl)-1,3-thiazoleThiazole, 2-(methylthio)-2-methylsulfanyl-1,3-thiazole2-Methylthio-1,3-thiazoleMFCD00858981
Show more names
2-(Methylthio)thiazole>2-METHYLTHIO-1,3-THIAZOLE2-(METHYLTHIO)THIAZOLE USP/EP/BP2-(METHYLTHIO) THIAZOLE FEMA NO.--------
Methyl(thiazol-2-yl) sulfide2-methylsulfanylthiazolethiazole, 2-methylthio-2-methylsulfanyl-thiazole2-(Methylmercapto)thiazole2-Methylthiothiazole, 97%SCHEMBL4962152-(Methylthio)thiazole ,99%
Database identifiers
- CAS
5053-24-7- PubChem CID
- 2760100
- DTXSID
DTXSID60375024- EC Number
- 627-589-2
- Nikkaji
- J149.387F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 205 · 205-207 °C (lit.)
- Density
- 1.271 g/mL · 1.271 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6080(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 2.42 · 2.42±0.10(Predicted)
- color
- Colorless to Light orange to Yellow
- InChI
- 1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3
- InChIKey
- VQNOAXZUEKPSJC-UHFFFAOYSA-N
- SMILES
- CSc1nccs1
- LogP
- 1.558 · 1.558 (est)
- CAS DataBase Reference
- 5053 · 5053-24-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methylthiothiazole may be used for the preparation of 1-(2-methylthio-5-thiazolyl)ethanol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
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Related reactions
5 records
Compound notes
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