2-Methyl-3-sulfanylpropan-1-ol
Basic information
- CAS
56160-79-3- Standard SMILES
CC(CO)CS- InChIKey
FCIVYWQHILCTLI-UHFFFAOYSA-N- Molecular formula
- C4H10OS
- Average molar mass
- 106.19 g/mol
- Monoisotopic mass
- 106.04523611
Names & identifiers
- Preferred name
- 2-Methyl-3-sulfanylpropan-1-ol
- IUPAC
- 2-methyl-3-sulfanylpropan-1-ol
Names & synonyms
2-methyl-3-sulfanylpropan-1-olRefChem:475421840-320-53-Mercapto-2-methylpropanol56160-79-33-Mercapto-2-methylpropan-1-ol3-Mercapto-2-methyl-1-propanol1-Propanol, 3-mercapto-2-methyl-2-Methyl-3-mercapto-1-propanolSCHEMBL902401SCHEMBL1154748CHEMBL3098154
Show more names
2-Methyl-3-sulfanyl-1-propanolDTXSID40336097FCIVYWQHILCTLI-UHFFFAOYSA-N1-Propanol, 2-methyl-3-mercapto2-Methyl-3-sulfanyl-propan-1-olGCA160792-Methyl-3-sulfanyl-1-propanol #EBC-06120
Database identifiers
- CAS
56160-79-3- PubChem CID
- 529079
- DTXSID
DTXSID40336097- ChEMBL
CHEMBL3098154- EC Number
- 840-320-5
- Nikkaji
- J1.000.746A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 30.7
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 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
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Related reactions
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Compound notes
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