(1S)-2-chloro-1-thiophen-2-ylethanol

C6H7ClOS — CID 15981658

IUPAC(1S)-2-chloro-1-thiophen-2-ylethanol
SMILESO[C@H](CCl)c1cccs1
InChIInChI=1S/C6H7ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2/t5-/m1/s1
InChIKeyKBXQOVVOIBVNLG-RXMQYKEDSA-N
MW162.64 g/mol
LogP2.02
Rot. Bonds2

About (1S)-2-chloro-1-thiophen-2-ylethanol

(1S)-2-chloro-1-thiophen-2-ylethanol (PubChem CID 15981658) has the molecular formula C6H7ClOS and a molecular weight of 162.64 g/mol. Its IUPAC name is (1S)-2-chloro-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-thiophen-2-ylethanol
PubChem CID15981658
Molecular FormulaC6H7ClOS
Molecular Weight162.64 g/mol
Exact Mass161.99
IUPAC Name(1S)-2-chloro-1-thiophen-2-ylethanol
SMILESO[C@H](CCl)c1cccs1
InChIInChI=1S/C6H7ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2/t5-/m1/s1
InChIKeyKBXQOVVOIBVNLG-RXMQYKEDSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-thiophen-2-ylethanol
CID 22324999
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586

Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-2-chloro-1-thiophen-2-ylethanol (CID 15981658) is (1S)-2-chloro-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-2-chloro-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-2-chloro-1-thiophen-2-ylethanol is O[C@H](CCl)c1cccs1.
What is the InChIKey of (1S)-2-chloro-1-thiophen-2-ylethanol?
The InChIKey is KBXQOVVOIBVNLG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2/t5-/m1/s1.
What are the key properties of (1S)-2-chloro-1-thiophen-2-ylethanol?
(1S)-2-chloro-1-thiophen-2-ylethanol has a molecular weight of 162.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-chloro-1-thiophen-2-ylethanol is sourced from PubChem (CID 15981658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).