Ethanethiol
PubChem CID: 6343
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ethanethiol, ETHYL MERCAPTAN, 75-08-1, Mercaptoethane, Ethyl sulfhydrate, Thioethanol, Ethyl thioalcohol, Thioethyl alcohol, Ethyl hydrosulfide, Aethylmercaptan, Etilmercaptano, Aethanethiol, Etantiolo, 1-Mercaptoethane, Ethaanthiol, Ethylmercaptaan, Ethylmerkaptan, ethyl-mercaptan, Mercaptan C2, LPG ethyl mercaptan 1010, NSC 93877, stench, HSDB 814, stench gas, 1-ethanethiol, EINECS 200-837-3, UNII-M439R54A1D, AI3-26618, M439R54A1D, NSC-93877, DTXSID9026394, FEMA NO. 4258, CHEBI:46511, EC 200-837-3, ETHANETHIOL (MART.), ETHANETHIOL [MART.], Etantiolo [Italian], Ethaanthiol [Dutch], Aethanethiol [German], ethanthiol, ethylmercaptan, Ethylmerkaptan [Czech], Ethylmercaptaan [Dutch], Aethylmercaptan [German], Etilmercaptano [Italian], Ethanethiol Solution in Methanol, 1000ug/mL, UN2363, ethanethioi, ethanethiolate, ethanothiol, ethane thiol, 1-Ethylthiol, EtSH, HSEt, Ethanethiol, 97%, MFCD00004887, Ethanethiol, >=97%, ETHANETHIOL [MI], ETHANETHIOL [FHFI], C2H5SH, WLN: SH2, ETHYL MERCAPTAN [HSDB], DTXCID506394, Ethanethiol, analytical standard, NSC93877, AKOS000120313, UN 2363, MSK158171-1000M, DB-004032, 1ST158171-1000M, E0036, NS00005388, EN300-20602, InChI=1/C2H6S/c1-2-3/h3H,2H2,1H, Ethyl mercaptan [UN2363] [Flammable liquid], Ethanethiol (ethyl mercaptan), analytical standard, Q407918, F0001-1889, QuadraPure(R) DET, 450-650 mum, extent of labeling: 1.0-2.0 mmol/g loading, macroporous, 200-837-3, EUF |
|---|---|
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DNJIEGIFACGWOD-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | liquid |
| Synonyms | 1-ethylthiol, 1-Mercaptoethane, 811-50-7 (mercury(+2) salt), Aethanethiol, Aethanethiol (german), Aethylmercaptan, Aethylmercaptan (german), C2H5SH, Etantiolo, Ethaanthiol, Ethanethiol (ethyl mercaptan), Ethanethiol, sodium salt, Ethyl hydrosulfide, Ethyl mercaptan, Ethyl mercaptan [UN2363] [Flammable liquid], Ethyl sulfhydrate, Ethyl thioalcohol, Ethyl-mercaptan, Ethylmercaptaan, Ethylmerkaptan, Etilmercaptano, LPG ethyl mercaptan 1010, Mercaptan C2, Mercaptoethane, Methanethiol, Quadrapure(TM) bis(ethyl mercaptan), Quadrapure(TM) det, SCC, Thioethanol, Thioethyl alcohol, Thioethyl group, Ethanethiol silver salt (+2), Ethanethiol sodium salt |
| Heavy Atom Count | 3.0 |
| Compound Name | Ethanethiol |
| Kingdom | Organic compounds |
| Description | Ethanethiol, also known as ethyl-mercaptan or ethanethiol sodium salt, is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain. Ethanethiol is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethanethiol is a fruity and sulfurous tasting compound found in potato, which makes ethanethiol a potential biomarker for the consumption of this food product. Ethanethiol may be a unique S.cerevisiae (yeast) metabolite. Ethanethiol, commonly known as ethyl mercaptan, is a clear liquid with a distinct odor. It is an organosulfur compound with the formula CH3CH2SH. Abbreviated EtSH, it consists of an ethyl group (Et), CH3CH2, attached to a thiol group, SH. Its structure parallels that of ethanol, but with sulfur in place of oxygen. The odor of EtSH is infamous. Ethanethiol is more volatile than ethanol due to a diminished ability to engage in hydrogen bonding. Ethanethiol is toxic. It occurs naturally as a minor component of petroleum, and may be added to otherwise odorless gaseous products such as liquefied petroleum gas (LPG) to help warn of gas leaks. At these concentrations, ethanethiol is not harmful . |
| Exact Mass | 62.019 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 62.019 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2.8 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 62.14 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Uniprot Id | Q64HC5 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethanethiol |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Thiols |
| Inchi | InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3 |
| Smiles | CCS |
| Xlogp | 0.9 |
| Superclass | Organosulfur compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Alkylthiols |
| Taxonomy Direct Parent | Alkylthiols |
| Molecular Formula | C2H6S |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all