thiolan-2-ylmethanol

C5H10OS — CID 22395729

IUPACthiolan-2-ylmethanol
SMILESOCC1CCCS1
InChIInChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKeyCCWMXACNCKOLEO-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds1

About thiolan-2-ylmethanol

thiolan-2-ylmethanol (PubChem CID 22395729) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is thiolan-2-ylmethanol.

Molecular Properties

Compound Namethiolan-2-ylmethanol
PubChem CID22395729
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Namethiolan-2-ylmethanol
SMILESOCC1CCCS1
InChIInChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKeyCCWMXACNCKOLEO-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylthiolan-3-ol
CID 19957309
trans-2-Methylthiolan-3-ol
CID 56991911
5-(Methylsulfanyl)pentan-1-ol
CID 12272140
2-(Thiolan-2-yl)ethan-1-ol
CID 14792110
Thiolan-3-ylmethanol
CID 20624486
(2S,3S)-2-methylthiolan-3-ol
CID 10080386
Thiolan-2-ol
CID 13451042
Thian-2-ol
CID 14959631
(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol
CID 18655752
2-Methylthiolan-5-ol
CID 89055474
(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
CID 54481251
(2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
CID 57009242

Frequently Asked Questions

What is the IUPAC name of thiolan-2-ylmethanol?
The IUPAC name of thiolan-2-ylmethanol (CID 22395729) is thiolan-2-ylmethanol.
What is the SMILES notation for thiolan-2-ylmethanol?
The canonical SMILES for thiolan-2-ylmethanol is OCC1CCCS1.
What is the InChIKey of thiolan-2-ylmethanol?
The InChIKey is CCWMXACNCKOLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2.
What are the key properties of thiolan-2-ylmethanol?
thiolan-2-ylmethanol has a molecular weight of 118.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-ylmethanol is sourced from PubChem (CID 22395729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).