[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine

C12H9N5O2S2 — CID 103336539

IUPAC[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccccc2[N+](=O)[O-])c2ccsc2n1
InChIInChI=1S/C12H9N5O2S2/c13-16-12-14-10-7(5-6-20-10)11(15-12)21-9-4-2-1-3-8(9)17(18)19/h1-6H,13H2,(H,14,15,16)
InChIKeyXECZDUNKSLQBME-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.04
Rot. Bonds4

About [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336539) has the molecular formula C12H9N5O2S2 and a molecular weight of 319.37 g/mol. Its IUPAC name is [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336539
Molecular FormulaC12H9N5O2S2
Molecular Weight319.37 g/mol
Exact Mass319.02
IUPAC Name[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccccc2[N+](=O)[O-])c2ccsc2n1
InChIInChI=1S/C12H9N5O2S2/c13-16-12-14-10-7(5-6-20-10)11(15-12)21-9-4-2-1-3-8(9)17(18)19/h1-6H,13H2,(H,14,15,16)
InChIKeyXECZDUNKSLQBME-UHFFFAOYSA-N
XLogP3.04
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 9110657
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
[6-(2-nitrophenyl)sulfanylpyrazin-2-yl]hydrazine
CID 80921214
[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107766413
3-chloro-4-(2-nitrophenyl)sulfanyl-1,2,5-thiadiazole
CID 43808370
[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336615
[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370
tert-butyl 2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 103336695

Frequently Asked Questions

What is the IUPAC name of [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336539) is [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine is NNc1nc(Sc2ccccc2[N+](=O)[O-])c2ccsc2n1.
What is the InChIKey of [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is XECZDUNKSLQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S2/c13-16-12-14-10-7(5-6-20-10)11(15-12)21-9-4-2-1-3-8(9)17(18)19/h1-6H,13H2,(H,14,15,16).
What are the key properties of [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 319.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).