(1R)-2-nitro-1-thiophen-2-ylethanol

C6H7NO3S — CID 687342

IUPAC(1R)-2-nitro-1-thiophen-2-ylethanol
SMILESO=[N+]([O-])C[C@@H](O)c1cccs1
InChIInChI=1S/C6H7NO3S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2/t5-/m1/s1
InChIKeyYCUGJFVAMAOCDP-RXMQYKEDSA-N
MW173.19 g/mol
LogP1.06
Rot. Bonds3

About (1R)-2-nitro-1-thiophen-2-ylethanol

(1R)-2-nitro-1-thiophen-2-ylethanol (PubChem CID 687342) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is (1R)-2-nitro-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2-nitro-1-thiophen-2-ylethanol
PubChem CID687342
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name(1R)-2-nitro-1-thiophen-2-ylethanol
SMILESO=[N+]([O-])C[C@@H](O)c1cccs1
InChIInChI=1S/C6H7NO3S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2/t5-/m1/s1
InChIKeyYCUGJFVAMAOCDP-RXMQYKEDSA-N
XLogP1.06
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.06
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'}

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Related Compounds

3-nitro-2-thiophen-2-ylpropan-1-amine
CID 10726209
2-[(1S)-2-nitro-1-thiophen-2-ylethyl]-1,3-diphenylpropane-1,3-dione
CID 154708487
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
O-(2-nitro-1-thiophen-2-ylethyl) N,N-dimethylcarbamothioate
CID 88792668
methyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]sulfanylacetate
CID 132557861
(1R)-2-nitro-1-pyridin-4-ylethanol
CID 709368
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-nitrobenzamide
CID 90500007
2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide
CID 169115165
(3S)-4-nitro-1-pyridin-2-yl-3-thiophen-2-ylbutan-1-one
CID 132851496
10-[(1R)-2-nitro-1-thiophen-2-ylethyl]-10H-anthracen-9-one
CID 56650717
(1S)-1-(2-chlorophenyl)-2-nitroethanol
CID 11550196

Frequently Asked Questions

What is the IUPAC name of (1R)-2-nitro-1-thiophen-2-ylethanol?
The IUPAC name of (1R)-2-nitro-1-thiophen-2-ylethanol (CID 687342) is (1R)-2-nitro-1-thiophen-2-ylethanol.
What is the SMILES notation for (1R)-2-nitro-1-thiophen-2-ylethanol?
The canonical SMILES for (1R)-2-nitro-1-thiophen-2-ylethanol is O=[N+]([O-])C[C@@H](O)c1cccs1.
What is the InChIKey of (1R)-2-nitro-1-thiophen-2-ylethanol?
The InChIKey is YCUGJFVAMAOCDP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7NO3S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2/t5-/m1/s1.
What are the key properties of (1R)-2-nitro-1-thiophen-2-ylethanol?
(1R)-2-nitro-1-thiophen-2-ylethanol has a molecular weight of 173.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-nitro-1-thiophen-2-ylethanol is sourced from PubChem (CID 687342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).