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

C9H17FOS — CID 115019223

IUPAC[3-(2-fluoropropyl)thian-4-yl]methanol
SMILESCC(F)CC1CSCCC1CO
InChIInChI=1S/C9H17FOS/c1-7(10)4-9-6-12-3-2-8(9)5-11/h7-9,11H,2-6H2,1H3
InChIKeyVLCFZQZYHPRTPQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.10
Rot. Bonds3

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

[3-(2-fluoropropyl)thian-4-yl]methanol (PubChem CID 115019223) has the molecular formula C9H17FOS and a molecular weight of 192.30 g/mol. Its IUPAC name is [3-(2-fluoropropyl)thian-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-fluoropropyl)thian-4-yl]methanol
PubChem CID115019223
Molecular FormulaC9H17FOS
Molecular Weight192.30 g/mol
Exact Mass192.10
IUPAC Name[3-(2-fluoropropyl)thian-4-yl]methanol
SMILESCC(F)CC1CSCCC1CO
InChIInChI=1S/C9H17FOS/c1-7(10)4-9-6-12-3-2-8(9)5-11/h7-9,11H,2-6H2,1H3
InChIKeyVLCFZQZYHPRTPQ-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-Fluoropropan-2-yl)thian-4-yl]methanol
CID 84772488
2-Fluoro-2-(thian-3-yl)ethanol
CID 105432509
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754
2-Fluoro-3-(thian-4-yl)propan-1-ol
CID 105437755
1-Fluoro-1-(thian-3-yl)propan-2-ol
CID 105437758
1-Fluoro-1-(thian-4-yl)propan-2-ol
CID 105437759
2,2-Difluoro-2-(thian-3-yl)ethan-1-ol
CID 105440136
3-Fluoro-4-(thian-3-yl)butan-2-ol
CID 105446587
3-Fluoro-4-(thian-4-yl)butan-2-ol
CID 105446588
2,2-Difluoro-3-(thian-3-yl)propan-1-ol
CID 105450113
2,2-Difluoro-3-(thian-4-yl)propan-1-ol
CID 105450114
1,1-Difluoro-1-(thian-3-yl)propan-2-ol
CID 105450117

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoropropyl)thian-4-yl]methanol?
The IUPAC name of [3-(2-fluoropropyl)thian-4-yl]methanol (CID 115019223) is [3-(2-fluoropropyl)thian-4-yl]methanol.
What is the SMILES notation for [3-(2-fluoropropyl)thian-4-yl]methanol?
The canonical SMILES for [3-(2-fluoropropyl)thian-4-yl]methanol is CC(F)CC1CSCCC1CO.
What is the InChIKey of [3-(2-fluoropropyl)thian-4-yl]methanol?
The InChIKey is VLCFZQZYHPRTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FOS/c1-7(10)4-9-6-12-3-2-8(9)5-11/h7-9,11H,2-6H2,1H3.
What are the key properties of [3-(2-fluoropropyl)thian-4-yl]methanol?
[3-(2-fluoropropyl)thian-4-yl]methanol has a molecular weight of 192.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoropropyl)thian-4-yl]methanol is sourced from PubChem (CID 115019223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).