5-heptylsulfanyl-1-phenyltetrazole

C14H20N4S — CID 141458526

IUPAC5-heptylsulfanyl-1-phenyltetrazole
SMILESCCCCCCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N4S/c1-2-3-4-5-9-12-19-14-15-16-17-18(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeySIQGHZWZEMHDBN-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.72
Rot. Bonds8

About 5-heptylsulfanyl-1-phenyltetrazole

5-heptylsulfanyl-1-phenyltetrazole (PubChem CID 141458526) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-heptylsulfanyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-heptylsulfanyl-1-phenyltetrazole
PubChem CID141458526
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-heptylsulfanyl-1-phenyltetrazole
SMILESCCCCCCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N4S/c1-2-3-4-5-9-12-19-14-15-16-17-18(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeySIQGHZWZEMHDBN-UHFFFAOYSA-N
XLogP3.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 62579162
5-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile
CID 60625385
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
5-[7-[(1R,2S)-2-[(17S,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]heptylsulfanyl]-1-phenyltetrazole
CID 102574729
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CID 135800648
N-(2-methoxyethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 62578744
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
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5-butylsulfanyl-1-(2,6-dimethylphenyl)tetrazole
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2-[4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylbutyl]isoindole-1,3-dione
CID 16535844
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
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CID 62577666

Frequently Asked Questions

What is the IUPAC name of 5-heptylsulfanyl-1-phenyltetrazole?
The IUPAC name of 5-heptylsulfanyl-1-phenyltetrazole (CID 141458526) is 5-heptylsulfanyl-1-phenyltetrazole.
What is the SMILES notation for 5-heptylsulfanyl-1-phenyltetrazole?
The canonical SMILES for 5-heptylsulfanyl-1-phenyltetrazole is CCCCCCCSc1nnnn1-c1ccccc1.
What is the InChIKey of 5-heptylsulfanyl-1-phenyltetrazole?
The InChIKey is SIQGHZWZEMHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-3-4-5-9-12-19-14-15-16-17-18(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3.
What are the key properties of 5-heptylsulfanyl-1-phenyltetrazole?
5-heptylsulfanyl-1-phenyltetrazole has a molecular weight of 276.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptylsulfanyl-1-phenyltetrazole is sourced from PubChem (CID 141458526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).