5-ethylsulfanyl-1-phenyltetrazole

C9H10N4S — CID 2223097

IUPAC5-ethylsulfanyl-1-phenyltetrazole
SMILESCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H10N4S/c1-2-14-9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeySWVMTPGOVPIWAJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.77
Rot. Bonds3

About 5-ethylsulfanyl-1-phenyltetrazole

5-ethylsulfanyl-1-phenyltetrazole (PubChem CID 2223097) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-ethylsulfanyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-ethylsulfanyl-1-phenyltetrazole
PubChem CID2223097
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-ethylsulfanyl-1-phenyltetrazole
SMILESCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H10N4S/c1-2-14-9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeySWVMTPGOVPIWAJ-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2,6-Dimethylphenyl)-5-methylsulfanyltetrazole
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5,5'-dithiobis(1-phenyl-1H-tetrazole)
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5-Methyl-1-phenyl-1H-tetrazole
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N-methyl-1-phenyl-1H-1,2,3,4-tetrazol-5-amine
CID 285158
5-bromo-1-phenyl-1H-1,2,3,4-tetrazole
CID 292542
Sodium 1-phenyl-1H-tetrazole-5-thiolate
CID 2735174
Stk291648
CID 4424052
1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1-phenyltetrazole?
The IUPAC name of 5-ethylsulfanyl-1-phenyltetrazole (CID 2223097) is 5-ethylsulfanyl-1-phenyltetrazole.
What is the SMILES notation for 5-ethylsulfanyl-1-phenyltetrazole?
The canonical SMILES for 5-ethylsulfanyl-1-phenyltetrazole is CCSc1nnnn1-c1ccccc1.
What is the InChIKey of 5-ethylsulfanyl-1-phenyltetrazole?
The InChIKey is SWVMTPGOVPIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-14-9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 5-ethylsulfanyl-1-phenyltetrazole?
5-ethylsulfanyl-1-phenyltetrazole has a molecular weight of 206.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1-phenyltetrazole is sourced from PubChem (CID 2223097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).