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Chemical structure of 2,3-dihydrothieno-Thiadiazole Carboxylate

GC13836

2,3-dihydrothieno-Thiadiazole Carboxylate

Also known as methyl thieno[3,2-d]thiadiazole-6-carboxylate

CYP450 enzymes (CYP2E1 and CYP2B4) inhibitor

ChemicalCAS152467-47-5MW200.2FormulaC6H4N2O2S2
CAS number
152467-47-5
Molecular weight
200.2
Formula
C6H4N2O2S2
Solubility
≤2mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
InChIKey
FMCBCIKSEQJAGA-UHFFFAOYSA-N
Catalogue number
GC13836
Brand
GLPBIO
Computed properties PubChem CID 851123 · XLogP 1.7 · TPSA 109 Ų · H-bond donors 0
XLogP
1.7
TPSA
109 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
12

SMILES COC(=O)C1=CSC2=C1N=NS2

Computed descriptors from PubChem (CID 851123), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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