5-(4-ethylsulfanylphenyl)-2H-tetrazole

C9H10N4S — CID 82650245

IUPAC5-(4-ethylsulfanylphenyl)-2H-tetrazole
SMILESCCSc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4S/c1-2-14-8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13)
InChIKeyALNWPTLWSCCTBU-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.98
Rot. Bonds3

About 5-(4-ethylsulfanylphenyl)-2H-tetrazole

5-(4-ethylsulfanylphenyl)-2H-tetrazole (PubChem CID 82650245) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(4-ethylsulfanylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-ethylsulfanylphenyl)-2H-tetrazole
PubChem CID82650245
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(4-ethylsulfanylphenyl)-2H-tetrazole
SMILESCCSc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4S/c1-2-14-8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13)
InChIKeyALNWPTLWSCCTBU-UHFFFAOYSA-N
XLogP1.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-6-(2H-tetrazol-5-yl)xanthen-9-one
CID 19865563
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
5-[4-(trioxidanylsulfanyl)phenyl]-2H-tetrazole
CID 58971814
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
CID 175020702
CID 175020702
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376
1-[2-hydroxy-3-propyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]sulfanylpropylsulfanyl]phenyl]ethanone
CID 13295530
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
5-(4-ethylsulfanylphenyl)-1H-pyrazole
CID 116869059
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfanylphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-ethylsulfanylphenyl)-2H-tetrazole (CID 82650245) is 5-(4-ethylsulfanylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-ethylsulfanylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-ethylsulfanylphenyl)-2H-tetrazole is CCSc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-ethylsulfanylphenyl)-2H-tetrazole?
The InChIKey is ALNWPTLWSCCTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-14-8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13).
What are the key properties of 5-(4-ethylsulfanylphenyl)-2H-tetrazole?
5-(4-ethylsulfanylphenyl)-2H-tetrazole has a molecular weight of 206.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfanylphenyl)-2H-tetrazole is sourced from PubChem (CID 82650245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).