3-Ethylpentane-3-thiol
Basic information
- CAS
5827-80-5- Standard SMILES
CCC(S)(CC)CC- InChIKey
RZMDDQFQBIBLDF-UHFFFAOYSA-N- Molecular formula
- C7H16S
- Average molar mass
- 132.27 g/mol
- Monoisotopic mass
- 132.09727168
Names & identifiers
- Preferred name
- 3-Ethylpentane-3-thiol
- IUPAC
- 3-ethylpentane-3-thiol
- English name
- 3-ethylpentane-3-thiol
- Molecular formula
- C7H16S
- Molecular weight
- 132.26694
Names & synonyms
3-Ethylpentane-3-thiol3-ETHYL-3-PENTANETHIOLEINECS 227-404-1885ABP6P5V3-Pentanethiol, 3-ethyl-DTXSID902070013-ETHYLPENTAN-3-YL THIOLRefChem:93863DTXCID50129492227-404-15827-80-5Et3CSH
Show more names
UNII-885ABP6P5VSCHEMBL3308011SCHEMBL7639417RZMDDQFQBIBLDF-UHFFFAOYSA-NFAA82780DB-315426NS00033897EN300-179767
Database identifiers
- CAS
5827-80-5- PubChem CID
- 79905
- DTXSID
DTXSID90207001- UNII
- 885ABP6P5V
- EC Number
- 227-404-1
- Nikkaji
- J218.082K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 47.1
Physicochemical properties
- FDA UNII
- 885 ABP6P5V · 885ABP6P5V
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Related reactions
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Compound notes
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