thian-2-ylmethanol

C6H12OS — CID 70090209

IUPACthian-2-ylmethanol
SMILESOCC1CCCCS1
InChIInChI=1S/C6H12OS/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChIKeyQXROWXWPJAPLAL-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.26
Rot. Bonds1

About thian-2-ylmethanol

thian-2-ylmethanol (PubChem CID 70090209) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is thian-2-ylmethanol.

Molecular Properties

Compound Namethian-2-ylmethanol
PubChem CID70090209
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Namethian-2-ylmethanol
SMILESOCC1CCCCS1
InChIInChI=1S/C6H12OS/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChIKeyQXROWXWPJAPLAL-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thian-2-ylmethanol?
The IUPAC name of thian-2-ylmethanol (CID 70090209) is thian-2-ylmethanol.
What is the SMILES notation for thian-2-ylmethanol?
The canonical SMILES for thian-2-ylmethanol is OCC1CCCCS1.
What is the InChIKey of thian-2-ylmethanol?
The InChIKey is QXROWXWPJAPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2.
What are the key properties of thian-2-ylmethanol?
thian-2-ylmethanol has a molecular weight of 132.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thian-2-ylmethanol is sourced from PubChem (CID 70090209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).