1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole

C15H12N8S2 — CID 555641

IUPAC1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
SMILESc1ccc(-n2nnnc2SCSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N8S2/c1-3-7-12(8-4-1)22-14(16-18-20-22)24-11-25-15-17-19-21-23(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyITYQPHYYWDPLSL-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.48
Rot. Bonds6

About 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole

1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole (PubChem CID 555641) has the molecular formula C15H12N8S2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
PubChem CID555641
Molecular FormulaC15H12N8S2
Molecular Weight368.45 g/mol
Exact Mass368.06
IUPAC Name1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
SMILESc1ccc(-n2nnnc2SCSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N8S2/c1-3-7-12(8-4-1)22-14(16-18-20-22)24-11-25-15-17-19-21-23(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyITYQPHYYWDPLSL-UHFFFAOYSA-N
XLogP2.48
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
The IUPAC name of 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole (CID 555641) is 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
The canonical SMILES for 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole is c1ccc(-n2nnnc2SCSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
The InChIKey is ITYQPHYYWDPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8S2/c1-3-7-12(8-4-1)22-14(16-18-20-22)24-11-25-15-17-19-21-23(15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole has a molecular weight of 368.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole is sourced from PubChem (CID 555641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).