| Phytochemical Name : Allyl mercaptan |
| PCNDIDA0065 |
| Pubchem CID : 13367 |
| Molecular formula: C3H6S |
| Canonical SMILES : C=CCS |
Synonymes : ALLYL MERCAPTAN|2-Propene-1-thiol|870-23-5|prop-2-ene-1-thiol|Allylthiol|Allyl sulfhydrate|FEMA No. 2035|2-Propenyl mercaptan|2-Propenyl-1-thiol|CH2=CHCH2SH|UNII-1X587IBY09|Allylmercaptan|CHEBI:89888|1X587IBY09|NSC 6744|NSC-6744|EINECS 212-792-7|AI3-23286|allyl thiol|allyl thioalcohol|3-Mercaptopropene|MFCD00004894|Allyl mercaptan, >=70%|Allyl mercaptan, >=90%|1-PROPENE-3-THIOL|ALLYL MERCAPTAN [FHFI]|CHEMBL3222024|DTXSID2061226|FEMA 2035|ULIKDJVNUXNQHS-UHFFFAOYSA-|NSC6744|AKOS000120943|A0777|FT-0622029|2-Propene-1-thiol, technical, ~60% (GC)|D88323|A841917|Q25104273 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.510 |
| Log Po/w (XLOGP3) : 1.160 |
| Log Po/w (WLOGP) : 1.100 |
| Log Po/w (MLOGP) : 1.220 |
| Log Po/w (SILICOS-IT) : 0.790 |
| Consensus Log Po/w : 1.160 |