4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol

C10H10N4OS — CID 2801423

IUPAC4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol
SMILESC=CCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H10N4OS/c1-2-7-16-10-11-12-13-14(10)8-3-5-9(15)6-4-8/h2-6,15H,1,7H2
InChIKeyZNNUYIVFTCXZQB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.65
Rot. Bonds4

About 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol

4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol (PubChem CID 2801423) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol
PubChem CID2801423
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol
SMILESC=CCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H10N4OS/c1-2-7-16-10-11-12-13-14(10)8-3-5-9(15)6-4-8/h2-6,15H,1,7H2
InChIKeyZNNUYIVFTCXZQB-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-{5-[(2-bromobenzyl)sulfanyl]-1H-tetraazol-1-yl}phenol
CID 1017455
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
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
1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
CID 781899
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323

Frequently Asked Questions

What is the IUPAC name of 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol?
The IUPAC name of 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol (CID 2801423) is 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol.
What is the SMILES notation for 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol?
The canonical SMILES for 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol is C=CCSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol?
The InChIKey is ZNNUYIVFTCXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-2-7-16-10-11-12-13-14(10)8-3-5-9(15)6-4-8/h2-6,15H,1,7H2.
What are the key properties of 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol?
4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol has a molecular weight of 234.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenol is sourced from PubChem (CID 2801423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).