2-Pentanethiol
PubChem CID: 62424
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| Compound Synonyms | 2-Pentanethiol, Pentane-2-thiol, 2084-19-7, 2-Mercaptopentane, 1-Methylbutanethiol, sec-Amyl mercaptan, FEMA No. 3792, 2-Pentylthiol, 529XY6M4QX, Amyl mercaptan, sec-, UNII-529XY6M4QX, 2-PENTANETHIOL [FHFI], DTXSID00862827, EINECS 218-224-4, 2-mercapto pentane, (+/-)-2-Pentanethiol, SCHEMBL23737, 1-Methylbutyl hydrosulfide #, DTXCID70811544, CHEBI:173241, AKOS009255896, DB-000167, NS00046580, EN300-211446, A814965, Q27260987, 110503-18-9 |
|---|---|
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QUSTYFNPKBDELJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | liquid |
| Synonyms | 1-Methylbutanethiol, 1-Methylbutyl hydrosulfide, 2-Mercaptopentane, 2-Pentylthiol, Amyl mercaptan, sec-, Pentane-2-thiol, sec-Amyl mercaptan |
| Heavy Atom Count | 6.0 |
| Compound Name | 2-Pentanethiol |
| Description | Component of guava flavour (Psidium guajava). (S)-2-Pentanethiol is found in fruits. |
| Exact Mass | 104.066 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.066 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 27.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 104.22 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentane-2-thiol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 |
| Smiles | CCCC(C)S |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C5H12S |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all