(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol

C11H10N2O3S2 — CID 103942554

IUPAC(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
SMILESC[C@H](O)c1cc([N+](=O)[O-])c(Sc2ccncc2)s1
InChIInChI=1S/C11H10N2O3S2/c1-7(14)10-6-9(13(15)16)11(18-10)17-8-2-4-12-5-3-8/h2-7,14H,1H3/t7-/m0/s1
InChIKeyLXVBTYMSAJEGTC-ZETCQYMHSA-N
MW282.35 g/mol
LogP3.26
Rot. Bonds4

About (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol

(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol (PubChem CID 103942554) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
PubChem CID103942554
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
SMILESC[C@H](O)c1cc([N+](=O)[O-])c(Sc2ccncc2)s1
InChIInChI=1S/C11H10N2O3S2/c1-7(14)10-6-9(13(15)16)11(18-10)17-8-2-4-12-5-3-8/h2-7,14H,1H3/t7-/m0/s1
InChIKeyLXVBTYMSAJEGTC-ZETCQYMHSA-N
XLogP3.26
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(1R)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
CID 103942555
(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol
CID 103942361
(1S)-1-(5-methylsulfanyl-4-nitrothiophen-2-yl)ethanol
CID 103942504
(1S)-1-[4-nitro-5-(1,3-thiazol-2-ylsulfanyl)thiophen-2-yl]ethanol
CID 103942508
(1R)-1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitrothiophen-2-yl]ethanol
CID 103942474
(1S)-1-[5-(1H-imidazol-2-ylsulfanyl)-4-nitrothiophen-2-yl]ethanol
CID 107783427
1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-4-nitrothiophen-2-yl]ethanol
CID 112623535
1-[5-(5-methylpyrimidin-2-yl)sulfanyl-4-nitrothiophen-2-yl]ethanol
CID 112623530
(1R)-1-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitrothiophen-2-yl]ethanol
CID 103942461
(1R)-1-[5-(2-methylfuran-3-yl)sulfanyl-4-nitrothiophen-2-yl]ethanol
CID 114001149
3-[5-(1-hydroxyethyl)-3-nitrothiophen-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 112623515
(1S)-1-[5-(1H-indol-2-ylsulfanyl)-4-nitrothiophen-2-yl]ethanol
CID 103942558

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol?
The IUPAC name of (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol (CID 103942554) is (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol?
The canonical SMILES for (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol is C[C@H](O)c1cc([N+](=O)[O-])c(Sc2ccncc2)s1.
What is the InChIKey of (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol?
The InChIKey is LXVBTYMSAJEGTC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-7(14)10-6-9(13(15)16)11(18-10)17-8-2-4-12-5-3-8/h2-7,14H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol?
(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol has a molecular weight of 282.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol is sourced from PubChem (CID 103942554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).