(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol

C7H9ClOS — CID 102765292

IUPAC(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1cc([C@H](C)O)sc1Cl
InChIInChI=1S/C7H9ClOS/c1-4-3-6(5(2)9)10-7(4)8/h3,5,9H,1-2H3/t5-/m0/s1
InChIKeyTXWSHLTXEHPQTF-YFKPBYRVSA-N
MW176.67 g/mol
LogP2.76
Rot. Bonds1

About (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol

(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol (PubChem CID 102765292) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
PubChem CID102765292
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1cc([C@H](C)O)sc1Cl
InChIInChI=1S/C7H9ClOS/c1-4-3-6(5(2)9)10-7(4)8/h3,5,9H,1-2H3/t5-/m0/s1
InChIKeyTXWSHLTXEHPQTF-YFKPBYRVSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 102764411
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
CID 102764357
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol?
The IUPAC name of (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol (CID 102765292) is (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol?
The canonical SMILES for (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol is Cc1cc([C@H](C)O)sc1Cl.
What is the InChIKey of (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol?
The InChIKey is TXWSHLTXEHPQTF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClOS/c1-4-3-6(5(2)9)10-7(4)8/h3,5,9H,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol?
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol has a molecular weight of 176.67 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 102765292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).