4-(2-fluoropropyl)thian-3-ol

C8H15FOS — CID 115015265

IUPAC4-(2-fluoropropyl)thian-3-ol
SMILESCC(F)CC1CCSCC1O
InChIInChI=1S/C8H15FOS/c1-6(9)4-7-2-3-11-5-8(7)10/h6-8,10H,2-5H2,1H3
InChIKeyGNMANOJDNZIGAM-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.85
Rot. Bonds2

About 4-(2-fluoropropyl)thian-3-ol

4-(2-fluoropropyl)thian-3-ol (PubChem CID 115015265) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-(2-fluoropropyl)thian-3-ol.

Molecular Properties

Compound Name4-(2-fluoropropyl)thian-3-ol
PubChem CID115015265
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name4-(2-fluoropropyl)thian-3-ol
SMILESCC(F)CC1CCSCC1O
InChIInChI=1S/C8H15FOS/c1-6(9)4-7-2-3-11-5-8(7)10/h6-8,10H,2-5H2,1H3
InChIKeyGNMANOJDNZIGAM-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
Tetrahydro-2,2-dimethylthiopyran-4-ol
CID 12430720
(4S)-4-ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129153599
4-Ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129154393
(2R,3S,5S)-4-(1-fluoroethyl)-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 164129879
3-[(Methylsulfanyl)methyl]hexan-2-ol
CID 138402886
4-(3-Fluoropropyl)thiolan-3-ol
CID 83191342
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-ol
CID 105120557
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)thian-3-ol?
The IUPAC name of 4-(2-fluoropropyl)thian-3-ol (CID 115015265) is 4-(2-fluoropropyl)thian-3-ol.
What is the SMILES notation for 4-(2-fluoropropyl)thian-3-ol?
The canonical SMILES for 4-(2-fluoropropyl)thian-3-ol is CC(F)CC1CCSCC1O.
What is the InChIKey of 4-(2-fluoropropyl)thian-3-ol?
The InChIKey is GNMANOJDNZIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-6(9)4-7-2-3-11-5-8(7)10/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(2-fluoropropyl)thian-3-ol?
4-(2-fluoropropyl)thian-3-ol has a molecular weight of 178.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)thian-3-ol is sourced from PubChem (CID 115015265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).