1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine

C9H10N6S — CID 6858403

IUPAC1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine
SMILESCSc1ccc(/C=N/n2nnnc2N)cc1
InChIInChI=1S/C9H10N6S/c1-16-8-4-2-7(3-5-8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
InChIKeyZKGHEMQZBYHNKJ-IZZDOVSWSA-N
MW234.29 g/mol
LogP0.86
Rot. Bonds3

About 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6858403) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6858403
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine
SMILESCSc1ccc(/C=N/n2nnnc2N)cc1
InChIInChI=1S/C9H10N6S/c1-16-8-4-2-7(3-5-8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
InChIKeyZKGHEMQZBYHNKJ-IZZDOVSWSA-N
XLogP0.86
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine (CID 6858403) is 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine is CSc1ccc(/C=N/n2nnnc2N)cc1.
What is the InChIKey of 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is ZKGHEMQZBYHNKJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10N6S/c1-16-8-4-2-7(3-5-8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+.
What are the key properties of 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 234.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).