4-(Benzothiazol-2-yl)-4-hydroxycyclohexan-1-one

HCID 9813628
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Basic information

Standard SMILES
O=C1CCC(O)(c2nc3ccccc3s2)CC1
InChIKey
VWYUJQXDIYDCDY-UHFFFAOYSA-N
Molecular formula
C13H13NO2S
Average molar mass
247.31 g/mol
Monoisotopic mass
247.06669983

Names & identifiers

Preferred name
4-(Benzothiazol-2-yl)-4-hydroxycyclohexan-1-one
IUPAC
4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexan-1-one

Names & synonyms

CHEMBL347778SCHEMBL3673583VWYUJQXDIYDCDY-UHFFFAOYSA-N4-(benzothiazol-2-yl)-4-hydroxycyclohexan-1-one

Database identifiers

PubChem CID
9813628
ChEMBL
CHEMBL347778
Nikkaji
J1.961.528F

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
78.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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