4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol

C9H8N8OS — CID 63150358

IUPAC4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
SMILESCn1nnnc1Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C9H8N8OS/c1-16-8(10-12-14-16)19-9-11-13-15-17(9)6-2-4-7(18)5-3-6/h2-5,18H,1H3
InChIKeyQTGBQMGURHTFOZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.04
Rot. Bonds3

About 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol

4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol (PubChem CID 63150358) has the molecular formula C9H8N8OS and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
PubChem CID63150358
Molecular FormulaC9H8N8OS
Molecular Weight276.29 g/mol
Exact Mass276.05
IUPAC Name4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
SMILESCn1nnnc1Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C9H8N8OS/c1-16-8(10-12-14-16)19-9-11-13-15-17(9)6-2-4-7(18)5-3-6/h2-5,18H,1H3
InChIKeyQTGBQMGURHTFOZ-UHFFFAOYSA-N
XLogP0.04
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
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4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
CID 79841516
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
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4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
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4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
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4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
4-[5-(4-methoxybutan-2-ylsulfanyl)tetrazol-1-yl]phenol
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4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol
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CID 77110422

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol (CID 63150358) is 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol is Cn1nnnc1Sc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol?
The InChIKey is QTGBQMGURHTFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8OS/c1-16-8(10-12-14-16)19-9-11-13-15-17(9)6-2-4-7(18)5-3-6/h2-5,18H,1H3.
What are the key properties of 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol?
4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol has a molecular weight of 276.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol is sourced from PubChem (CID 63150358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).