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

C10H12N4OS2 — CID 8852458

IUPAC4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol
SMILESCSCCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H12N4OS2/c1-16-6-7-17-10-11-12-13-14(10)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3
InChIKeyQLDAUAMCXAVJLO-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.82
Rot. Bonds5

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

4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol (PubChem CID 8852458) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol
PubChem CID8852458
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol
SMILESCSCCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H12N4OS2/c1-16-6-7-17-10-11-12-13-14(10)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3
InChIKeyQLDAUAMCXAVJLO-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
1-(4-ethoxyphenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731967
4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol
CID 666301
7-[[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2529882
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
1-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 4968520
5-Allylsulfanyl-1-(4-methoxy-phenyl)-1H-tetrazole
CID 553033
m-(5-(Methylthio)-1H-tetrazol-1-yl)phenol
CID 713737
2-[1-(3-Hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 713732
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 864595

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol (CID 8852458) is 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol is CSCCSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol?
The InChIKey is QLDAUAMCXAVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-16-6-7-17-10-11-12-13-14(10)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3.
What are the key properties of 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol?
4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol has a molecular weight of 268.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 8852458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).