(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol

C10H9NO3S3 — CID 103942361

IUPAC(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol
SMILESC[C@@H](O)c1cc([N+](=O)[O-])c(Sc2cccs2)s1
InChIInChI=1S/C10H9NO3S3/c1-6(12)8-5-7(11(13)14)10(16-8)17-9-3-2-4-15-9/h2-6,12H,1H3/t6-/m1/s1
InChIKeyFULQUOCJHYDJOC-ZCFIWIBFSA-N
MW287.39 g/mol
LogP3.92
Rot. Bonds4

About (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol

(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol (PubChem CID 103942361) has the molecular formula C10H9NO3S3 and a molecular weight of 287.39 g/mol. Its IUPAC name is (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol
PubChem CID103942361
Molecular FormulaC10H9NO3S3
Molecular Weight287.39 g/mol
Exact Mass286.97
IUPAC Name(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol
SMILESC[C@@H](O)c1cc([N+](=O)[O-])c(Sc2cccs2)s1
InChIInChI=1S/C10H9NO3S3/c1-6(12)8-5-7(11(13)14)10(16-8)17-9-3-2-4-15-9/h2-6,12H,1H3/t6-/m1/s1
InChIKeyFULQUOCJHYDJOC-ZCFIWIBFSA-N
XLogP3.92
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.92
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

(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
CID 103942554
(1R)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
CID 103942555
(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-(2-methylfuran-3-yl)sulfanyl-4-nitrothiophen-2-yl]ethanol
CID 114001149
(1S)-1-[5-(1H-indol-2-ylsulfanyl)-4-nitrothiophen-2-yl]ethanol
CID 103942558
(1R)-1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitrothiophen-2-yl]ethanol
CID 103942474
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
3-[5-[(1R)-1-hydroxyethyl]-3-nitrothiophen-2-yl]sulfanylbutan-1-ol
CID 103942547
(1S)-1-[5-(1H-imidazol-2-ylsulfanyl)-4-nitrothiophen-2-yl]ethanol
CID 107783427

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol?
The IUPAC name of (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol (CID 103942361) is (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol?
The canonical SMILES for (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol is C[C@@H](O)c1cc([N+](=O)[O-])c(Sc2cccs2)s1.
What is the InChIKey of (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol?
The InChIKey is FULQUOCJHYDJOC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9NO3S3/c1-6(12)8-5-7(11(13)14)10(16-8)17-9-3-2-4-15-9/h2-6,12H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol?
(1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol has a molecular weight of 287.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-nitro-5-thiophen-2-ylsulfanylthiophen-2-yl)ethanol is sourced from PubChem (CID 103942361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).