4-Bromo-thianthren-1-ol

HCID 59797446
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Basic information

Standard SMILES
Oc1ccc(Br)c2c1Sc1ccccc1S2
InChIKey
QMLDXDWMNGIOEP-UHFFFAOYSA-N
Molecular formula
C12H7BrOS2
Average molar mass
311.2 g/mol

Names & identifiers

Preferred name
4-Bromo-thianthren-1-ol
IUPAC
4-bromothianthren-1-ol

Names & synonyms

4-Bromo-thianthren-1-olSCHEMBL3167772QMLDXDWMNGIOEP-UHFFFAOYSA-N

Database identifiers

PubChem CID
59797446

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
70.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

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