4-(5-methylsulfonyltetrazol-1-yl)phenol

C8H8N4O3S — CID 134824564

IUPAC4-(5-methylsulfonyltetrazol-1-yl)phenol
SMILESCS(=O)(=O)c1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C8H8N4O3S/c1-16(14,15)8-9-10-11-12(8)6-2-4-7(13)5-3-6/h2-5,13H,1H3
InChIKeyDWSYCUKCNSVBRA-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.23
Rot. Bonds2

About 4-(5-methylsulfonyltetrazol-1-yl)phenol

4-(5-methylsulfonyltetrazol-1-yl)phenol (PubChem CID 134824564) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(5-methylsulfonyltetrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-methylsulfonyltetrazol-1-yl)phenol
PubChem CID134824564
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name4-(5-methylsulfonyltetrazol-1-yl)phenol
SMILESCS(=O)(=O)c1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C8H8N4O3S/c1-16(14,15)8-9-10-11-12(8)6-2-4-7(13)5-3-6/h2-5,13H,1H3
InChIKeyDWSYCUKCNSVBRA-UHFFFAOYSA-N
XLogP-0.23
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
m-(5-(Methylthio)-1H-tetrazol-1-yl)phenol
CID 713737
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 4695068
1-(4-Methoxyphenyl)-5-(methylthio)-1H-tetrazole
CID 45792952
4-(5-Prop-2-enylsulfanyltetrazol-1-yl)phenol
CID 2801423
4-[5-(2-Methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol
CID 8852458
4-(5-Methylsulfanyl-tetrazol-1-yl)-phenol
CID 8177440
4-[5-(6-Hydroxymethyl-[1,2]dithiin-3-ylmethylsulfanyl)-4,5-dihydro-tetrazol-1-yl]-phenol
CID 135491461
2-Fluoro-4-(5-methyl-tetrazol-1-yl)-phenol
CID 22106524
3-Fluoro-4-(5-methyltetrazol-1-yl)phenol
CID 67389681
[4-(Tetrazol-1-yl)phenyl] trifluoromethanesulfonate
CID 88559232

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfonyltetrazol-1-yl)phenol?
The IUPAC name of 4-(5-methylsulfonyltetrazol-1-yl)phenol (CID 134824564) is 4-(5-methylsulfonyltetrazol-1-yl)phenol.
What is the SMILES notation for 4-(5-methylsulfonyltetrazol-1-yl)phenol?
The canonical SMILES for 4-(5-methylsulfonyltetrazol-1-yl)phenol is CS(=O)(=O)c1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-methylsulfonyltetrazol-1-yl)phenol?
The InChIKey is DWSYCUKCNSVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-16(14,15)8-9-10-11-12(8)6-2-4-7(13)5-3-6/h2-5,13H,1H3.
What are the key properties of 4-(5-methylsulfonyltetrazol-1-yl)phenol?
4-(5-methylsulfonyltetrazol-1-yl)phenol has a molecular weight of 240.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfonyltetrazol-1-yl)phenol is sourced from PubChem (CID 134824564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).