(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol

C6H6Cl2OS — CID 83001660

IUPAC(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
SMILESO[C@H](CCl)c1ccc(Cl)s1
InChIInChI=1S/C6H6Cl2OS/c7-3-4(9)5-1-2-6(8)10-5/h1-2,4,9H,3H2/t4-/m1/s1
InChIKeyKYGZWAJJQOLBKU-SCSAIBSYSA-N
MW197.09 g/mol
LogP2.67
Rot. Bonds2

About (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol

(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 83001660) has the molecular formula C6H6Cl2OS and a molecular weight of 197.09 g/mol. Its IUPAC name is (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID83001660
Molecular FormulaC6H6Cl2OS
Molecular Weight197.09 g/mol
Exact Mass195.95
IUPAC Name(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
SMILESO[C@H](CCl)c1ccc(Cl)s1
InChIInChI=1S/C6H6Cl2OS/c7-3-4(9)5-1-2-6(8)10-5/h1-2,4,9H,3H2/t4-/m1/s1
InChIKeyKYGZWAJJQOLBKU-SCSAIBSYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 52.67
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-chloro-1-(5-methylthiophen-2-yl)ethanol
CID 83001254
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661

Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol (CID 83001660) is (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol is O[C@H](CCl)c1ccc(Cl)s1.
What is the InChIKey of (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is KYGZWAJJQOLBKU-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H6Cl2OS/c7-3-4(9)5-1-2-6(8)10-5/h1-2,4,9H,3H2/t4-/m1/s1.
What are the key properties of (1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol?
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 197.09 g/mol, XLogP of 2.67, 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-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 83001660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).