2-Carboxy-2-(t-butyl)thiomethyl-1,2,3,4-tetrahydronaphthalene

HCID 19789937
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Basic information

Standard SMILES
CC(C)(C)SCC1(C(=O)O)CCc2ccccc2C1
InChIKey
FSCMDXSQGFVXHR-UHFFFAOYSA-N
Molecular formula
C16H22O2S
Average molar mass
278.4 g/mol

Names & identifiers

Preferred name
2-Carboxy-2-(t-butyl)thiomethyl-1,2,3,4-tetrahydronaphthalene
IUPAC
2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Names & synonyms

SCHEMBL7297983FSCMDXSQGFVXHR-UHFFFAOYSA-N2-Carboxy-2-(t-butyl)thiomethyl-1,2,3,4-tetrahydronaphthalene

Database identifiers

PubChem CID
19789937

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
62.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
19

Related reactions

6 records
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Compound notes

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