1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

C15H12N8S — CID 9110390

IUPAC1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N8S/c1-11-7-9-13(10-8-11)23-15(17-19-21-23)24-14-16-18-20-22(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyPVFVAHXBLPCZFN-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (PubChem CID 9110390) has the molecular formula C15H12N8S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
PubChem CID9110390
Molecular FormulaC15H12N8S
Molecular Weight336.38 g/mol
Exact Mass336.09
IUPAC Name1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N8S/c1-11-7-9-13(10-8-11)23-15(17-19-21-23)24-14-16-18-20-22(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyPVFVAHXBLPCZFN-UHFFFAOYSA-N
XLogP2.10
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylbenzonitrile
CID 62301459
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
CID 1253667
(2S)-1,2-bis(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7865405
3-methyl-4-(1-phenyltetrazol-5-yl)sulfanylbenzaldehyde
CID 63801853
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
CID 63150358

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (CID 9110390) is 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is Cc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The InChIKey is PVFVAHXBLPCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8S/c1-11-7-9-13(10-8-11)23-15(17-19-21-23)24-14-16-18-20-22(14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole has a molecular weight of 336.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is sourced from PubChem (CID 9110390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).