[4-(2-fluoroethyl)thian-3-yl]methanol

C8H15FOS — CID 115015266

IUPAC[4-(2-fluoroethyl)thian-3-yl]methanol
SMILESOCC1CSCCC1CCF
InChIInChI=1S/C8H15FOS/c9-3-1-7-2-4-11-6-8(7)5-10/h7-8,10H,1-6H2
InChIKeyQSNSETWQTZAUDP-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.71
Rot. Bonds3

About [4-(2-fluoroethyl)thian-3-yl]methanol

[4-(2-fluoroethyl)thian-3-yl]methanol (PubChem CID 115015266) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is [4-(2-fluoroethyl)thian-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoroethyl)thian-3-yl]methanol
PubChem CID115015266
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name[4-(2-fluoroethyl)thian-3-yl]methanol
SMILESOCC1CSCCC1CCF
InChIInChI=1S/C8H15FOS/c9-3-1-7-2-4-11-6-8(7)5-10/h7-8,10H,1-6H2
InChIKeyQSNSETWQTZAUDP-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-fluoroethyl)thian-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Hydroxymethyl)tetrahydro-2H-thiopyran
CID 20143654
(Thian-3-yl)methanol
CID 21959000
3-(Trifluoromethyl)tetrahydro-2 H-thiopyran-2-ol
CID 162787536
(4-Fluorothian-4-yl)methanol
CID 84020828
(3-Fluorothian-3-yl)methanol
CID 84020829
2-(4-Fluorothian-4-yl)ethanol
CID 84651962
[4-(2-Fluoropropan-2-yl)thian-4-yl]methanol
CID 84772488
2-(3-Fluorothian-4-yl)ethanol
CID 105432506
2-Fluoro-2-(thian-3-yl)ethanol
CID 105432509
2-Fluoro-2-(thian-4-yl)ethanol
CID 105432510
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754
2-Fluoro-3-(thian-4-yl)propan-1-ol
CID 105437755

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)thian-3-yl]methanol?
The IUPAC name of [4-(2-fluoroethyl)thian-3-yl]methanol (CID 115015266) is [4-(2-fluoroethyl)thian-3-yl]methanol.
What is the SMILES notation for [4-(2-fluoroethyl)thian-3-yl]methanol?
The canonical SMILES for [4-(2-fluoroethyl)thian-3-yl]methanol is OCC1CSCCC1CCF.
What is the InChIKey of [4-(2-fluoroethyl)thian-3-yl]methanol?
The InChIKey is QSNSETWQTZAUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c9-3-1-7-2-4-11-6-8(7)5-10/h7-8,10H,1-6H2.
What are the key properties of [4-(2-fluoroethyl)thian-3-yl]methanol?
[4-(2-fluoroethyl)thian-3-yl]methanol has a molecular weight of 178.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)thian-3-yl]methanol is sourced from PubChem (CID 115015266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).