Octyl 3-mercaptopropionate

HCID 89128
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Basic information

CAS
71849-93-9
Standard SMILES
CCCCCCCCOC(=O)CCS
InChIKey
LWNSNYBMYBWJDN-UHFFFAOYSA-N
Molecular formula
C11H22O2S
Average molar mass
218.36 g/mol

Names & identifiers

Preferred name
Octyl 3-mercaptopropionate
IUPAC
octyl 3-sulfanylpropanoate
English name
Octyl 3-mercaptopropionate
Molecular formula
C11H22O2S
Molecular weight
218.36

Names & synonyms

Octyl 3-mercaptopropionateOctyl 3-sulfanylpropanoate71849-93-9n-octyl-3-mercaptopropionateSCHEMBL679535NS00062036n-Octyl3-mercaptopropionateOctyl 3-Meracaptopropionate3-Mercaptopropionicacidn-octylesterPropanoicacid,3-mercapto-,octylester

Database identifiers

CAS
71849-93-9
PubChem CID
89128
EC Number
276-078-7
Nikkaji
J318.775F

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
27.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
14

Physicochemical properties

Boiling point
291.2 · 291.2±23.0 °C(Predicted)
Density
0.959 · 0.959±0.06 g/cm3(Predicted)
pka
9.66 · 9.66±0.10(Predicted)

Chemistry & industry

Suppliers2 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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