Basic information
- CAS
5780-36-9- Standard SMILES
CSc1cccs1- InChIKey
ZLSMPEVZXWDWEK-UHFFFAOYSA-N- Molecular formula
- C5H6S2
- Average molar mass
- 130.2 g/mol
- Monoisotopic mass
- 129.99109254
Names & identifiers
- Preferred name
- 2-(Methylthio)thiophene
- IUPAC
- 2-methylsulfanylthiophene
- English name
- 2-(METHYLTHIO)THIOPHENE
- Molecular formula
- C5H6S2
- Molecular weight
- 130.23
Names & synonyms
2-(Methylthio)thiopheneThiophene, 2-(methylthio)-DTXSID30206497RefChem:254394DTXCID30128988637-333-1ZLSMPEVZXWDWEK-UHFFFAOYSA-N5780-36-92-(Methylsulfanyl)thiophene2-methylsulfanylthiophene2-(Mehtylthio)thiophene2-methylthiothiophene
Show more names
BUTTPARK 94\04-23METHYL 2-THIENYL SULFIDE2-(METHYLMERCAPTO)THIOPHENE2-(Methylthio)thiophene ,97%4-(dibutylamino)-1-phenyl-1-butanol2-(Methylmercapto)thiophene~Methyl 2-thienyl sulphide
MFCD000523822-methylmercaptothiopheneSCHEMBL4389132-(Methylsulfanyl)thiophene #DTXSID30206SCHEMBL438912SCHEMBL1375725SCHEMBL6653242
Database identifiers
- CAS
5780-36-9- PubChem CID
- 79844
- DTXSID
DTXSID30206497- EC Number
- 637-333-1
- Nikkaji
- J100.417D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54
Physicochemical properties
- Boiling point
- 100 °C · 100 °C
- Density
- 1.1752 g/cm3 · 1.1752 g/cm3
- refractive index
- 1.596 · 1.5960
- Flash point
- 82 · 82-84°C/15mm
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- liquid
- color
- Clear, pink
- BRN
- 106272 · 106272
- CAS DataBase Reference
- 5780 · 5780-36-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335
- Precautionary statements
- 261 · P261-P280i-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- RIDADR
- 3334 · UN3334
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
Danger
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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 CategoriesAcute Tox. 4 (88.6%)
Safety data
- ridadr
- UN3334
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- hazard_class
- 9
- Hazard statements
- H319-H335
- Precautionary statements
- P261-P280i-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-(Methylthio)thiophene is used as an intermediate in synthetic chemistry. It is also used in the preparation of 2-thiocyanato-thiophene by reaction with cyanogen iodide using sodium methylmercatide as a reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers84 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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