1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

C16H14N8S — CID 2649844

IUPAC1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C16H14N8S/c1-11-8-9-12(2)14(10-11)24-16(18-20-22-24)25-15-17-19-21-23(15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyLFCRESUTNYKKSG-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.41
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (PubChem CID 2649844) has the molecular formula C16H14N8S and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
PubChem CID2649844
Molecular FormulaC16H14N8S
Molecular Weight350.41 g/mol
Exact Mass350.11
IUPAC Name1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C16H14N8S/c1-11-8-9-12(2)14(10-11)24-16(18-20-22-24)25-15-17-19-21-23(15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyLFCRESUTNYKKSG-UHFFFAOYSA-N
XLogP2.41
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylbenzonitrile
CID 62301459
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 18777070
1-(2,5-dimethylphenyl)-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole
CID 944369
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 7877912
2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile
CID 8692882
3-methyl-4-(1-phenyltetrazol-5-yl)sulfanylbenzaldehyde
CID 63801853
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 829105
5-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]sulfanyl-1-(2,5-dimethylphenyl)tetrazole
CID 87402163
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 7878125

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (CID 2649844) is 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is Cc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The InChIKey is LFCRESUTNYKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8S/c1-11-8-9-12(2)14(10-11)24-16(18-20-22-24)25-15-17-19-21-23(15)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole has a molecular weight of 350.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is sourced from PubChem (CID 2649844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).