[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol

C10H10FN3OS — CID 104604417

IUPAC[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
SMILESCn1ncnc1Sc1ccc(CO)cc1F
InChIInChI=1S/C10H10FN3OS/c1-14-10(12-6-13-14)16-9-3-2-7(5-15)4-8(9)11/h2-4,6,15H,5H2,1H3
InChIKeyIBDBYMYCDDQJBC-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.60
Rot. Bonds3

About [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol

[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol (PubChem CID 104604417) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
PubChem CID104604417
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
SMILESCn1ncnc1Sc1ccc(CO)cc1F
InChIInChI=1S/C10H10FN3OS/c1-14-10(12-6-13-14)16-9-3-2-7(5-15)4-8(9)11/h2-4,6,15H,5H2,1H3
InChIKeyIBDBYMYCDDQJBC-UHFFFAOYSA-N
XLogP1.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol
CID 104604430
(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol
CID 63835086
3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 104603206
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805
1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114063153
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
CID 63814866
2-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 106698744
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
1-[2-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431758
[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604395

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol (CID 104604417) is [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol is Cn1ncnc1Sc1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
The InChIKey is IBDBYMYCDDQJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-14-10(12-6-13-14)16-9-3-2-7(5-15)4-8(9)11/h2-4,6,15H,5H2,1H3.
What are the key properties of [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol has a molecular weight of 239.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 104604417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).