(3-Nitro-5-(trifluoromethyl)phenyl)(thiomorpholino)-methanone

HCID 66970321
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Basic information

Standard SMILES
O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCSCC1
InChIKey
RNOZBUMYIPDOHX-UHFFFAOYSA-N
Molecular formula
C12H11F3N2O3S
Average molar mass
320.29 g/mol
Monoisotopic mass
320.04424788

Names & identifiers

Preferred name
(3-Nitro-5-(trifluoromethyl)phenyl)(thiomorpholino)-methanone
IUPAC
[3-nitro-5-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone

Names & synonyms

(3-nitro-5-(trifluoromethyl)phenyl)(thiomorpholino)-methanoneSCHEMBL1264254

Database identifiers

PubChem CID
66970321

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
91.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
21

Related reactions

6 records
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Compound notes

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