5'-Bromo-2'-(methylthio)spiro[cyclohexane-1,3'-[3H]indole]

HCID 21986266
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Basic information

Standard SMILES
CSC1=Nc2ccc(Br)cc2C12CCCCC2
InChIKey
OVLRAVRAJDZCTF-UHFFFAOYSA-N
Molecular formula
C14H16BrNS
Average molar mass
310.25 g/mol

Names & identifiers

Preferred name
5'-Bromo-2'-(methylthio)spiro[cyclohexane-1,3'-[3H]indole]
IUPAC
5'-bromo-2'-methylsulfanylspiro[cyclohexane-1,3'-indole]

Names & synonyms

SCHEMBL6013813OVLRAVRAJDZCTF-UHFFFAOYSA-N5'-Bromo-2'-(methylthio)spiro[cyclohexane-1,3'-[3H ]indole]5'-Bromo-2'-(methylthio)spiro[cyclohexane-1,3'-[3H]indole]

Database identifiers

PubChem CID
21986266

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
37.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Related reactions

7 records
New reaction record

Compound notes

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