oxathian-3-yl(thiophen-3-yl)methanol

C9H12O2S2 — CID 156762536

IUPACoxathian-3-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCCOS1
InChIInChI=1S/C9H12O2S2/c10-9(7-3-5-12-6-7)8-2-1-4-11-13-8/h3,5-6,8-10H,1-2,4H2
InChIKeyZKDIANSRSIMHIE-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.61
Rot. Bonds2

About oxathian-3-yl(thiophen-3-yl)methanol

oxathian-3-yl(thiophen-3-yl)methanol (PubChem CID 156762536) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is oxathian-3-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Nameoxathian-3-yl(thiophen-3-yl)methanol
PubChem CID156762536
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Nameoxathian-3-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCCOS1
InChIInChI=1S/C9H12O2S2/c10-9(7-3-5-12-6-7)8-2-1-4-11-13-8/h3,5-6,8-10H,1-2,4H2
InChIKeyZKDIANSRSIMHIE-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-yl(thiophen-3-yl)methanol
CID 65331077
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
1,4-diazabicyclo[2.2.2]octan-2-yl(thiophen-3-yl)methanol
CID 79969742
(S)-cyclobutyl(thiophen-3-yl)methanamine
CID 96933189
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 129335231
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
(4-ethylmorpholin-2-yl)-thiophen-3-ylmethanol
CID 79667022

Frequently Asked Questions

What is the IUPAC name of oxathian-3-yl(thiophen-3-yl)methanol?
The IUPAC name of oxathian-3-yl(thiophen-3-yl)methanol (CID 156762536) is oxathian-3-yl(thiophen-3-yl)methanol.
What is the SMILES notation for oxathian-3-yl(thiophen-3-yl)methanol?
The canonical SMILES for oxathian-3-yl(thiophen-3-yl)methanol is OC(c1ccsc1)C1CCCOS1.
What is the InChIKey of oxathian-3-yl(thiophen-3-yl)methanol?
The InChIKey is ZKDIANSRSIMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c10-9(7-3-5-12-6-7)8-2-1-4-11-13-8/h3,5-6,8-10H,1-2,4H2.
What are the key properties of oxathian-3-yl(thiophen-3-yl)methanol?
oxathian-3-yl(thiophen-3-yl)methanol has a molecular weight of 216.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxathian-3-yl(thiophen-3-yl)methanol is sourced from PubChem (CID 156762536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).