3-(5-methylsulfanyltetrazol-1-yl)phenol

C8H8N4OS — CID 713737

IUPAC3-(5-methylsulfanyltetrazol-1-yl)phenol
SMILESCSc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C8H8N4OS/c1-14-8-9-10-11-12(8)6-3-2-4-7(13)5-6/h2-5,13H,1H3
InChIKeyCACHDMAEKVFSIA-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.09
Rot. Bonds2

About 3-(5-methylsulfanyltetrazol-1-yl)phenol

3-(5-methylsulfanyltetrazol-1-yl)phenol (PubChem CID 713737) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(5-methylsulfanyltetrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-methylsulfanyltetrazol-1-yl)phenol
PubChem CID713737
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-(5-methylsulfanyltetrazol-1-yl)phenol
SMILESCSc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C8H8N4OS/c1-14-8-9-10-11-12(8)6-3-2-4-7(13)5-6/h2-5,13H,1H3
InChIKeyCACHDMAEKVFSIA-UHFFFAOYSA-N
XLogP1.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazole
CID 2221997
N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
3-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 949809
2-[1-(3-Hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 713732
3-(1H-tetrazol-1-yl)phenol
CID 856192
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
4-(5-Methanesulfonyl-(1,2,3,4)tetrazol-1-yl)-phenol
CID 134824564
3-(5-methyl-1H-tetrazol-1-yl)phenol
CID 16765171
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfanyltetrazol-1-yl)phenol?
The IUPAC name of 3-(5-methylsulfanyltetrazol-1-yl)phenol (CID 713737) is 3-(5-methylsulfanyltetrazol-1-yl)phenol.
What is the SMILES notation for 3-(5-methylsulfanyltetrazol-1-yl)phenol?
The canonical SMILES for 3-(5-methylsulfanyltetrazol-1-yl)phenol is CSc1nnnn1-c1cccc(O)c1.
What is the InChIKey of 3-(5-methylsulfanyltetrazol-1-yl)phenol?
The InChIKey is CACHDMAEKVFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-14-8-9-10-11-12(8)6-3-2-4-7(13)5-6/h2-5,13H,1H3.
What are the key properties of 3-(5-methylsulfanyltetrazol-1-yl)phenol?
3-(5-methylsulfanyltetrazol-1-yl)phenol has a molecular weight of 208.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfanyltetrazol-1-yl)phenol is sourced from PubChem (CID 713737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).