2-thiophen-2-ylsulfanylcyclohexan-1-ol

C10H14OS2 — CID 60878226

IUPAC2-thiophen-2-ylsulfanylcyclohexan-1-ol
SMILESOC1CCCCC1Sc1cccs1
InChIInChI=1S/C10H14OS2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h3,6-9,11H,1-2,4-5H2
InChIKeyAPBOACQRKIQTPI-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.14
Rot. Bonds2

About 2-thiophen-2-ylsulfanylcyclohexan-1-ol

2-thiophen-2-ylsulfanylcyclohexan-1-ol (PubChem CID 60878226) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanylcyclohexan-1-ol
PubChem CID60878226
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name2-thiophen-2-ylsulfanylcyclohexan-1-ol
SMILESOC1CCCCC1Sc1cccs1
InChIInChI=1S/C10H14OS2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h3,6-9,11H,1-2,4-5H2
InChIKeyAPBOACQRKIQTPI-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanylcyclohexan-1-ol?
The IUPAC name of 2-thiophen-2-ylsulfanylcyclohexan-1-ol (CID 60878226) is 2-thiophen-2-ylsulfanylcyclohexan-1-ol.
What is the SMILES notation for 2-thiophen-2-ylsulfanylcyclohexan-1-ol?
The canonical SMILES for 2-thiophen-2-ylsulfanylcyclohexan-1-ol is OC1CCCCC1Sc1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfanylcyclohexan-1-ol?
The InChIKey is APBOACQRKIQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h3,6-9,11H,1-2,4-5H2.
What are the key properties of 2-thiophen-2-ylsulfanylcyclohexan-1-ol?
2-thiophen-2-ylsulfanylcyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 60878226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).