2-ethylsulfinyl-3-nitrothiophene

C6H7NO3S2 — CID 23273598

IUPAC2-ethylsulfinyl-3-nitrothiophene
SMILESCCS(=O)c1sccc1[N+](=O)[O-]
InChIInChI=1S/C6H7NO3S2/c1-2-12(10)6-5(7(8)9)3-4-11-6/h3-4H,2H2,1H3
InChIKeyHGXMBIPOHYXPHZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds3

About 2-ethylsulfinyl-3-nitrothiophene

2-ethylsulfinyl-3-nitrothiophene (PubChem CID 23273598) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethylsulfinyl-3-nitrothiophene.

Molecular Properties

Compound Name2-ethylsulfinyl-3-nitrothiophene
PubChem CID23273598
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name2-ethylsulfinyl-3-nitrothiophene
SMILESCCS(=O)c1sccc1[N+](=O)[O-]
InChIInChI=1S/C6H7NO3S2/c1-2-12(10)6-5(7(8)9)3-4-11-6/h3-4H,2H2,1H3
InChIKeyHGXMBIPOHYXPHZ-UHFFFAOYSA-N
XLogP1.78
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
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-butoxy-3-nitrothiophene
CID 15637305
3-nitrothiophen-2-amine
CID 3830768
(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol
CID 130639223
methyl 2-(3-nitrothiophen-2-yl)sulfanylacetate
CID 2821096
1-(3-nitrothiophen-2-yl)pyrrole
CID 19419281
3-[(3-nitrothiophen-2-yl)methylidene]pentane-2,4-dione
CID 67842355
1-(3-nitrothiophen-2-yl)pyrazole
CID 12554486
3-nitro-2-phenylthiophene;1H-pyrrole
CID 68501206
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
N-ethyl-2-nitrothiophen-3-amine
CID 131104824
N,N-diethyl-4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9113790
(4-ethoxy-2-nitrophenyl) thiophene-2-carboxylate
CID 118142253

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-3-nitrothiophene?
The IUPAC name of 2-ethylsulfinyl-3-nitrothiophene (CID 23273598) is 2-ethylsulfinyl-3-nitrothiophene.
What is the SMILES notation for 2-ethylsulfinyl-3-nitrothiophene?
The canonical SMILES for 2-ethylsulfinyl-3-nitrothiophene is CCS(=O)c1sccc1[N+](=O)[O-].
What is the InChIKey of 2-ethylsulfinyl-3-nitrothiophene?
The InChIKey is HGXMBIPOHYXPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c1-2-12(10)6-5(7(8)9)3-4-11-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfinyl-3-nitrothiophene?
2-ethylsulfinyl-3-nitrothiophene has a molecular weight of 205.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-3-nitrothiophene is sourced from PubChem (CID 23273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).