3-(3-nitrophenyl)-1H-pyrazine-2-thione

C10H7N3O2S — CID 106515750

IUPAC3-(3-nitrophenyl)-1H-pyrazine-2-thione
SMILESO=[N+]([O-])c1cccc(-c2ncc[nH]c2=S)c1
InChIInChI=1S/C10H7N3O2S/c14-13(15)8-3-1-2-7(6-8)9-10(16)12-5-4-11-9/h1-6H,(H,12,16)
InChIKeyRZIBFGMKLNSYLT-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.71
Rot. Bonds2

About 3-(3-nitrophenyl)-1H-pyrazine-2-thione

3-(3-nitrophenyl)-1H-pyrazine-2-thione (PubChem CID 106515750) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(3-nitrophenyl)-1H-pyrazine-2-thione
PubChem CID106515750
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name3-(3-nitrophenyl)-1H-pyrazine-2-thione
SMILESO=[N+]([O-])c1cccc(-c2ncc[nH]c2=S)c1
InChIInChI=1S/C10H7N3O2S/c14-13(15)8-3-1-2-7(6-8)9-10(16)12-5-4-11-9/h1-6H,(H,12,16)
InChIKeyRZIBFGMKLNSYLT-UHFFFAOYSA-N
XLogP2.71
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenyl)pyridine-3-carbaldehyde
CID 2764566
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
N-(1H-imidazol-2-ylmethyl)-1-(3-nitrophenyl)methanamine
CID 62504703
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-chloro-4-(3-nitrophenyl)pyridazine
CID 174434324
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
N-ethyl-2-(3-nitrophenyl)pyridin-4-amine
CID 102824677

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(3-nitrophenyl)-1H-pyrazine-2-thione (CID 106515750) is 3-(3-nitrophenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(3-nitrophenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(3-nitrophenyl)-1H-pyrazine-2-thione is O=[N+]([O-])c1cccc(-c2ncc[nH]c2=S)c1.
What is the InChIKey of 3-(3-nitrophenyl)-1H-pyrazine-2-thione?
The InChIKey is RZIBFGMKLNSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-13(15)8-3-1-2-7(6-8)9-10(16)12-5-4-11-9/h1-6H,(H,12,16).
What are the key properties of 3-(3-nitrophenyl)-1H-pyrazine-2-thione?
3-(3-nitrophenyl)-1H-pyrazine-2-thione has a molecular weight of 233.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106515750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).