3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole

C9H7FN2OS2 — CID 130927637

IUPAC3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole
SMILESO=S(Cc1cnsn1)c1cccc(F)c1
InChIInChI=1S/C9H7FN2OS2/c10-7-2-1-3-9(4-7)15(13)6-8-5-11-14-12-8/h1-5H,6H2
InChIKeyVBOURUQOWDPELM-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.99
Rot. Bonds3

About 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole

3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole (PubChem CID 130927637) has the molecular formula C9H7FN2OS2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole
PubChem CID130927637
Molecular FormulaC9H7FN2OS2
Molecular Weight242.30 g/mol
Exact Mass242.00
IUPAC Name3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole
SMILESO=S(Cc1cnsn1)c1cccc(F)c1
InChIInChI=1S/C9H7FN2OS2/c10-7-2-1-3-9(4-7)15(13)6-8-5-11-14-12-8/h1-5H,6H2
InChIKeyVBOURUQOWDPELM-UHFFFAOYSA-N
XLogP1.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
CID 130899394
1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 63791219
2-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]benzonitrile
CID 107120079
1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene
CID 102940814
bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504461
[4-[3-(3-fluorophenyl)sulfinylpropoxy]phenyl]methanamine
CID 81333382
3-[(3-fluorophenyl)sulfinylmethyl]pentan-3-ol
CID 114497118
1-fluoro-3-[(R)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859236
1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
CID 107508854
1-fluoro-3-[2-(2-methylpropoxy)ethylsulfinyl]benzene
CID 106458393
2-[(3-bromophenyl)sulfinylmethyl]-4-fluoroaniline
CID 62804254
3-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935213

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole (CID 130927637) is 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole is O=S(Cc1cnsn1)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole?
The InChIKey is VBOURUQOWDPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS2/c10-7-2-1-3-9(4-7)15(13)6-8-5-11-14-12-8/h1-5H,6H2.
What are the key properties of 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole?
3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole has a molecular weight of 242.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole is sourced from PubChem (CID 130927637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).