(2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol

C7H7F3N2OS — CID 1477604

IUPAC(2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol
SMILESO[C@H](CSc1ncccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)5(13)4-14-6-11-2-1-3-12-6/h1-3,5,13H,4H2/t5-/m1/s1
InChIKeyIANDACQCYXVFNW-RXMQYKEDSA-N
MW224.21 g/mol
LogP1.49
Rot. Bonds3

About (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol

(2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol (PubChem CID 1477604) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol
PubChem CID1477604
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name(2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol
SMILESO[C@H](CSc1ncccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)5(13)4-14-6-11-2-1-3-12-6/h1-3,5,13H,4H2/t5-/m1/s1
InChIKeyIANDACQCYXVFNW-RXMQYKEDSA-N
XLogP1.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78584
2-Trifluoromethylthiopyrimidine
CID 6421025
2-Pentafluoroethylthiopyrimidine
CID 6421267
2-(Fluoromethylsulfanyl)pyrimidine
CID 10678370
Pyrimidine, 2-[(difluoromethyl)thio]-
CID 10749503
2-(3,3-Difluoroprop-2-enylsulfanyl)pyrimidine
CID 11095352
2-(1,1-Difluoroprop-1-en-2-ylsulfanyl)pyrimidine
CID 86257925
2-(1-Chloro-2,2,2-trifluoroethyl)sulfanylpyrimidine
CID 119083855
Fluor oethylthiopyrimidine
CID 119088079
2-(Allylthio)pyrimidine
CID 3680572
2-Ethenylthio-pyrimidine
CID 11789271

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol (CID 1477604) is (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol is O[C@H](CSc1ncccn1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol?
The InChIKey is IANDACQCYXVFNW-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c8-7(9,10)5(13)4-14-6-11-2-1-3-12-6/h1-3,5,13H,4H2/t5-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol?
(2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol has a molecular weight of 224.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 1477604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).