Basic information
- CAS
30982-97-9- Standard SMILES
CCCCCCCCC(=O)OCCS- InChIKey
JDUBWWBPEXAGDB-UHFFFAOYSA-N- Molecular formula
- C11H22O2S
- Average molar mass
- 218.36 g/mol
- Monoisotopic mass
- 218.13405111
Names & identifiers
- Preferred name
- Nonanoic acid, 2-mercaptoethyl ester
- IUPAC
- 2-sulfanylethyl nonanoate
- English name
- 2-mercaptoethyl nonan-1-oate
- Molecular formula
- C11H22O2S
- Molecular weight
- 218.36
Names & synonyms
2-Mercaptoethyl nonanoate30982-97-9EINECS 250-414-2Nonanoic acid, 2-mercaptoethyl esterDTXSID7067584RefChem:166457DTXCID20382832-Mercaptoethyl nonan-1-oate2-sulfanylethyl nonanoateSCHEMBL6440290JDUBWWBPEXAGDB-UHFFFAOYSA-NNS00029006
Show more names
Nonanoic acid 2-mercaptoethyl ester
Database identifiers
- CAS
30982-97-9- PubChem CID
- 83501
- DTXSID
DTXSID7067584- EC Number
- 250-414-2
- Nikkaji
- J287.420B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Mercaptoethyl nonanoate (30982-97-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanoic acid, 2-mercaptoethyl ester: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司81124267 17392282731 · [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
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