Basic information
- CAS
7666-04-8- Standard SMILES
CSc1ncc[nH]1- InChIKey
SVOCLWUDDWXHFW-UHFFFAOYSA-N- Molecular formula
- C4H6N2S
- Average molar mass
- 114.17 g/mol
- Monoisotopic mass
- 114.02516937
Names & identifiers
- Preferred name
- 2-(methylsulfanyl)-1H-imidazole
- IUPAC
- 2-methylsulfanyl-1H-imidazole
- English name
- 2-(Methylthio)imidazole
- Molecular formula
- C4H6N2S
- Molecular weight
- 114.17
Names & synonyms
7666-04-82-(methylsulfanyl)-1H-imidazoleDTXSID80997984RefChem:461361DTXCID70969751877-614-82-(Methylthio)imidazole2-(Methylthio)-1H-imidazole2-methylthio-imidazole2-Methylsulfanyl-1H-imidazole1H-Imidazole, 2-(methylthio)-MFCD19216815
Show more names
2-(methyl sulfanyl)-1H-imidazole
methylmercaptoimidazol2-MethylmercaptoimidazoleSCHEMBL8874CHEMBL61455SCHEMBL1145987SCHEMBL1543283SCHEMBL7298169SVOCLWUDDWXHFW-UHFFFAOYSA-N
Database identifiers
- CAS
7666-04-8- PubChem CID
- 134652
- DTXSID
DTXSID80997984- ChEMBL
CHEMBL61455- EC Number
- 877-614-8
- Nikkaji
- J292.579F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 268.9 · 268.9±23.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.85 · 12.85±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-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
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Methylthio)imidazole is used as a reagent in the synthesis of 4-Methyl-5-phenyl-(1,2,4)-triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type I (11β-HSD1).
Suppliers14 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [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025-58851090 13913916777 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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