Methyl 4-(4-(4-nitrophenyl)(1,3-thiazol-2-yl))-5-methylthiothiophene-2-carboxylate

HCID 86758673
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Basic information

Standard SMILES
COC(=S)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)s1
InChIKey
QRYNXRLDYWZRHX-UHFFFAOYSA-N
Molecular formula
C16H12N2O3S3
Average molar mass
376.5 g/mol
Monoisotopic mass
376.00100577

Names & identifiers

Preferred name
Methyl 4-(4-(4-nitrophenyl)(1,3-thiazol-2-yl))-5-methylthiothiophene-2-carboxylate
IUPAC
O-methyl 5-methyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]thiophene-2-carbothioate

Names & synonyms

SCHEMBL6925297QRYNXRLDYWZRHX-UHFFFAOYSA-Nmethyl 4-(4-(4-nitrophenyl)(1,3-thiazol-2-yl))-5-methylthiothiophene-2-carboxylate

Database identifiers

PubChem CID
86758673

Properties

Computed structural properties

XLogP
5
Topological polar surface area
157 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
24

Related reactions

5 records
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Compound notes

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