Basic information
- CAS
6380-70-7- Standard SMILES
CCCCCOC(=O)CS- InChIKey
ZXIWFYQVPPOSNC-UHFFFAOYSA-N- Molecular formula
- C7H14O2S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.07145086
Names & identifiers
- Preferred name
- Pentyl mercaptoacetate
- IUPAC
- pentyl 2-sulfanylacetate
- English name
- pentyl mercaptoacetate
- Molecular formula
- C7H14O2S
- Molecular weight
- 162.25
Names & synonyms
Pentyl mercaptoacetatepentyl 2-sulfanylacetate6380-70-7Pentyl 2-mercaptoacetatepentyl sulfanylacetateEINECS 228-968-1NZH4L9W8CHSCHEMBL574597SCHEMBL4672463DTXSID60213255ZXIWFYQVPPOSNC-UHFFFAOYSA-NMFCD00046840
Show more names
Mercaptoacetic acid pentyl ester
SBB061204AKOS006274328Acetic acid, 2-mercapto-, pentyl esterNS00035571ST51047253
Database identifiers
- CAS
6380-70-7- PubChem CID
- 80795
- DTXSID
DTXSID60213255- UNII
- NZH4L9W8CH
- EC Number
- 228-968-1
- Nikkaji
- J206.992J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.6
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…