4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol

C11H14N4O3S2 — CID 60801602

IUPAC4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
SMILESCCS(=O)(=O)CCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C11H14N4O3S2/c1-2-20(17,18)8-7-19-11-12-13-14-15(11)9-3-5-10(16)6-4-9/h3-6,16H,2,7-8H2,1H3
InChIKeyGCROTHZIAMCNKT-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.89
Rot. Bonds6

About 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol

4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol (PubChem CID 60801602) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
PubChem CID60801602
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
SMILESCCS(=O)(=O)CCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C11H14N4O3S2/c1-2-20(17,18)8-7-19-11-12-13-14-15(11)9-3-5-10(16)6-4-9/h3-6,16H,2,7-8H2,1H3
InChIKeyGCROTHZIAMCNKT-UHFFFAOYSA-N
XLogP0.89
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
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4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
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3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylpropanehydrazide
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4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylbut-2-enoic acid
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2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
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4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol
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N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
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3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol (CID 60801602) is 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol is CCS(=O)(=O)CCSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol?
The InChIKey is GCROTHZIAMCNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-2-20(17,18)8-7-19-11-12-13-14-15(11)9-3-5-10(16)6-4-9/h3-6,16H,2,7-8H2,1H3.
What are the key properties of 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol?
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol has a molecular weight of 314.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 60801602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).