1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

C15H12N8S — CID 4885033

IUPAC1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C15H12N8S/c1-11-7-5-6-10-13(11)23-15(17-19-21-23)24-14-16-18-20-22(14)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyNSQKAUNDMZCXQV-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.10
Rot. Bonds4

About 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (PubChem CID 4885033) has the molecular formula C15H12N8S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
PubChem CID4885033
Molecular FormulaC15H12N8S
Molecular Weight336.38 g/mol
Exact Mass336.09
IUPAC Name1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C15H12N8S/c1-11-7-5-6-10-13(11)23-15(17-19-21-23)24-14-16-18-20-22(14)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyNSQKAUNDMZCXQV-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

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5,5'-dithiobis(1-phenyl-1H-tetrazole)
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1-Mesityl-5-(methylthio)-1H-tetrazole
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1-(2,6-Dimethylphenyl)-5-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethylsulfanyl]tetrazole
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Cambridge id 6252533
CID 2274649
1-(2-Methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
CID 2480677
2-[1-(4-Methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
1-(2,5-Dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate
CID 122577
5-[(2-fluorobenzyl)thio]-1-(2-fluorophenyl)-1H-tetrazole
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CID 877459

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The IUPAC name of 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (CID 4885033) is 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.
What is the SMILES notation for 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The canonical SMILES for 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is Cc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The InChIKey is NSQKAUNDMZCXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8S/c1-11-7-5-6-10-13(11)23-15(17-19-21-23)24-14-16-18-20-22(14)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 1-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
1-(2-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-(2-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is sourced from PubChem (CID 4885033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).