Basic information
- CAS
107263-89-8- Standard SMILES
C#Cc1csc(C)n1- InChIKey
FYWOKPLZXCNQSZ-UHFFFAOYSA-N- Molecular formula
- C6H5NS
- Average molar mass
- 123.18 g/mol
- Monoisotopic mass
- 123.01427034
Names & identifiers
- Preferred name
- 4-Ethynyl-2-methyl-1,3-thiazole
- IUPAC
- 4-ethynyl-2-methyl-1,3-thiazole
- English name
- Thiazole, 4-ethynyl-2-methyl-
- Molecular formula
- C6H5NS
- Molecular weight
- 123.18
Names & synonyms
4-ethynyl-2-methyl-1,3-thiazoleRefChem:522940848-188-04-Ethynyl-2-methylthiazole107263-89-8Thiazole, 4-ethynyl-2-methyl-MFCD182074144-ethynyl-2-methyl-thiazoleSCHEMBL1244046SCHEMBL6024302DTXSID20469559FYWOKPLZXCNQSZ-UHFFFAOYSA-N
Show more names
Thiazole, 4-ethynyl-2-methyl-
2-methyl-4-ethynyl-1,3-thiazoleHEA26389AKOS016012785AS-78091DA-15838SY148532CS-0158555EN300-131374
Database identifiers
- CAS
107263-89-8- PubChem CID
- 11622334
- DTXSID
DTXSID20469559- EC Number
- 848-188-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 185.2 · 185.2±13.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.48 · 1.48±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers24 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
宁波台康化工有限公司0574-87365517 18074210286 · [email protected]
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
Related reactions
4 records
Compound notes
Loading…