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12-Methoxydodecanethioamide

HCID 19611776
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Basic information

Standard SMILES
COCCCCCCCCCCCC(N)=S
InChIKey
BXHQZVBCZCFEDX-UHFFFAOYSA-N
Molecular formula
C13H27NOS
Average molar mass
245.43 g/mol

Names & identifiers

Preferred name
12-Methoxydodecanethioamide
IUPAC
12-methoxydodecanethioamide

Names & synonyms

12-MethoxydodecanethioamideSCHEMBL8466847BXHQZVBCZCFEDX-UHFFFAOYSA-N

Database identifiers

PubChem CID
19611776

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
67.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
12
Heavy atoms
16
Formal charge
0
Complexity
162

Related reactions

2 records
New reaction record
HRID 692105 reaction equation
HRID 692105As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1600423 reaction equation
HRID 1600423As productuspto-grants-1998_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes