3-Methylthiolane
Basic information
- CAS
4740-00-5- Standard SMILES
CC1CCSC1- InChIKey
DLABLFPCTXRQMY-UHFFFAOYSA-N- Molecular formula
- C5H10S
- Average molar mass
- 102.2 g/mol
- Monoisotopic mass
- 102.05032149
Names & identifiers
- Preferred name
- 3-Methylthiolane
- IUPAC
- 3-methylthiolane
- English name
- 3-Methylthiolane
- Molecular formula
- C5H10S
- Molecular weight
- 102.2
Names & synonyms
3-Methylthiolane3-MethyltetrahydrothiopheneTetrahydro-3-methylthiopheneThiophene, tetrahydro-3-methyl-RefChem:94969859-683-6DLABLFPCTXRQMY-UHFFFAOYSA-N4740-00-53-MethylthiacyclopentaneMFCD01839340SCHEMBL193257SCHEMBL1145718
Show more names
SCHEMBL3154332SCHEMBL4626103SCHEMBL10744597SCHEMBL10829150DTXSID20871097AKOS006276547AS-39225CS-0452737
Database identifiers
- CAS
4740-00-5- PubChem CID
- 138337
- DTXSID
DTXSID20871097- EC Number
- 859-683-6
- Nikkaji
- J95.397K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 43.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -81.16 °C · -81.16°C
- Boiling point
- 138.34 °C · 138.34°C
- Density
- 0.959 · 0.959
- refractive index
- 1.4902 · 1.4902
- form
- liquid
- NIST Chemistry Reference
- -3 · Thiophene, tetrahydro-3-methyl-(4740-00-5)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 319 · H319-H332-H335-H302-H226-H315-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H319-H332-H335-H302-H226-H315-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…