ethane;2-methylsulfanyl-5-nitropyridine

C8H12N2O2S — CID 142860412

IUPACethane;2-methylsulfanyl-5-nitropyridine
SMILESCC.CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C6H6N2O2S.C2H6/c1-11-6-3-2-5(4-7-6)8(9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyCQUNVKIWZFJGPA-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.74
Rot. Bonds2

About ethane;2-methylsulfanyl-5-nitropyridine

ethane;2-methylsulfanyl-5-nitropyridine (PubChem CID 142860412) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethane;2-methylsulfanyl-5-nitropyridine.

Molecular Properties

Compound Nameethane;2-methylsulfanyl-5-nitropyridine
PubChem CID142860412
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethane;2-methylsulfanyl-5-nitropyridine
SMILESCC.CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C6H6N2O2S.C2H6/c1-11-6-3-2-5(4-7-6)8(9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyCQUNVKIWZFJGPA-UHFFFAOYSA-N
XLogP2.74
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-(ethyldisulfanyl)-5-nitropyridine
CID 58752642
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
ethane;2-methyl-5-nitropyridine
CID 123657002
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
CID 43385380
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
CID 15141761
2-[(5-nitro-2-pyridinyl)disulfanyl]propan-1-amine
CID 118938615
(E)-6-[(5-nitro-2-pyridinyl)sulfanyl]hex-4-en-2-one
CID 123465261
5-nitro-2-pent-1-en-3-ylsulfanylpyridine
CID 174962679
2-[(5-nitro-2-pyridinyl)sulfanyl]ethyl acetate
CID 143226129
2-[(4-bromophenyl)methylsulfanyl]-5-nitropyridine
CID 4910238
(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butan-1-ol
CID 126748954
5-nitro-2-piperidin-4-ylsulfanylpyridine
CID 71303792

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylsulfanyl-5-nitropyridine?
The IUPAC name of ethane;2-methylsulfanyl-5-nitropyridine (CID 142860412) is ethane;2-methylsulfanyl-5-nitropyridine.
What is the SMILES notation for ethane;2-methylsulfanyl-5-nitropyridine?
The canonical SMILES for ethane;2-methylsulfanyl-5-nitropyridine is CC.CSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of ethane;2-methylsulfanyl-5-nitropyridine?
The InChIKey is CQUNVKIWZFJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S.C2H6/c1-11-6-3-2-5(4-7-6)8(9)10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methylsulfanyl-5-nitropyridine?
ethane;2-methylsulfanyl-5-nitropyridine has a molecular weight of 200.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylsulfanyl-5-nitropyridine is sourced from PubChem (CID 142860412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).