1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol

C10H14O2S — CID 103456956

IUPAC1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol
SMILESCc1cc(C(O)C(O)C2CC2)cs1
InChIInChI=1S/C10H14O2S/c1-6-4-8(5-13-6)10(12)9(11)7-2-3-7/h4-5,7,9-12H,2-3H2,1H3
InChIKeyFYOGLPHPKHIPLC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.86
Rot. Bonds3

About 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol

1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol (PubChem CID 103456956) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol
PubChem CID103456956
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol
SMILESCc1cc(C(O)C(O)C2CC2)cs1
InChIInChI=1S/C10H14O2S/c1-6-4-8(5-13-6)10(12)9(11)7-2-3-7/h4-5,7,9-12H,2-3H2,1H3
InChIKeyFYOGLPHPKHIPLC-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65099385
(1R)-1-(5-methylthiophen-3-yl)ethanol
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(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164653665
cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
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3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
CID 103459822
2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
CID 130639383
2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440
2-cyclopentyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991619
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
2-adamantyl-(5-methylthiophen-3-yl)methanol
CID 115807551
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol?
The IUPAC name of 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol (CID 103456956) is 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol is Cc1cc(C(O)C(O)C2CC2)cs1.
What is the InChIKey of 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol?
The InChIKey is FYOGLPHPKHIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-6-4-8(5-13-6)10(12)9(11)7-2-3-7/h4-5,7,9-12H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol?
1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol has a molecular weight of 198.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol is sourced from PubChem (CID 103456956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).