3-(Methylsulfanyl)propane-1-thiol
Basic information
- CAS
26718-09-2- Standard SMILES
CSCCCS- InChIKey
GLSINCGJNDJREL-UHFFFAOYSA-N- Molecular formula
- C4H10S2
- Average molar mass
- 122.3 g/mol
- Monoisotopic mass
- 122.02239267
Names & identifiers
- Preferred name
- 3-(Methylsulfanyl)propane-1-thiol
- IUPAC
- 3-methylsulfanylpropane-1-thiol
Names & synonyms
3-(methylsulfanyl)propane-1-thiol26718-09-2RefChem:495568834-051-24-Thia-1-pentanethiol3-(Methylthio)propane-1-thiol3-methylsulfanylpropane-1-thiolMFCD238222793-methylthio-1-propanethiolSCHEMBL6568382SCHEMBL10809658SCHEMBL11843729
Show more names
SCHEMBL27583863GLSINCGJNDJREL-UHFFFAOYSA-NDTXSID501377114AKOS018598186EN300-250278G53148
Database identifiers
- CAS
26718-09-2- PubChem CID
- 525488
- DTXSID
DTXSID501377114- EC Number
- 834-051-2
- Nikkaji
- J1.846.407A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 21.5
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, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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%)
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Related reactions
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Compound notes
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