Methyl 11-mercaptoundecanoate

HCID 406973
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Basic information

CAS
73391-27-2
Standard SMILES
COC(=O)CCCCCCCCCCS
InChIKey
ONZUTDDACQHPTP-UHFFFAOYSA-N
Molecular formula
C12H24O2S
Average molar mass
232.38 g/mol
Monoisotopic mass
232.14970118

Names & identifiers

Preferred name
Methyl 11-mercaptoundecanoate
IUPAC
methyl 11-sulfanylundecanoate

Names & synonyms

methyl 11-mercaptoundecanoate73391-27-2methyl 11-sulfanylundecanoateSCHEMBL4283433DTXSID80328138ONZUTDDACQHPTP-UHFFFAOYSA-N

Database identifiers

CAS
73391-27-2
PubChem CID
406973
DTXSID
DTXSID80328138
Nikkaji
J725.885B

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
27.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
11
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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