1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole

C14H20N4S — CID 97222986

IUPAC1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
SMILESCC[C@H](C)CSc1nnnn1-c1ccc(C)cc1C
InChIInChI=1S/C14H20N4S/c1-5-10(2)9-19-14-15-16-17-18(14)13-7-6-11(3)8-12(13)4/h6-8,10H,5,9H2,1-4H3/t10-/m0/s1
InChIKeyXBSARHMCWVDSAC-JTQLQIEISA-N
MW276.41 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole

1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole (PubChem CID 97222986) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
PubChem CID97222986
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
SMILESCC[C@H](C)CSc1nnnn1-c1ccc(C)cc1C
InChIInChI=1S/C14H20N4S/c1-5-10(2)9-19-14-15-16-17-18(14)13-7-6-11(3)8-12(13)4/h6-8,10H,5,9H2,1-4H3/t10-/m0/s1
InChIKeyXBSARHMCWVDSAC-JTQLQIEISA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutanenitrile
CID 84602417
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931313
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 17403499
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
butyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 84602659
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 8691768
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
CID 17431271
1-(3-bromophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7674908
1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole
CID 112776173

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole (CID 97222986) is 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole is CC[C@H](C)CSc1nnnn1-c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole?
The InChIKey is XBSARHMCWVDSAC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-10(2)9-19-14-15-16-17-18(14)13-7-6-11(3)8-12(13)4/h6-8,10H,5,9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole?
1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole has a molecular weight of 276.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole is sourced from PubChem (CID 97222986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).