1-naphthalen-2-yl-2H-tetrazole-5-thione

C11H8N4S — CID 847410

IUPAC1-naphthalen-2-yl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1-c1ccc2ccccc2c1
InChIInChI=1S/C11H8N4S/c16-11-12-13-14-15(11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,14,16)
InChIKeyJVUHNRBYOXLUKL-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.48
Rot. Bonds1

About 1-naphthalen-2-yl-2H-tetrazole-5-thione

1-naphthalen-2-yl-2H-tetrazole-5-thione (PubChem CID 847410) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-naphthalen-2-yl-2H-tetrazole-5-thione
PubChem CID847410
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name1-naphthalen-2-yl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1-c1ccc2ccccc2c1
InChIInChI=1S/C11H8N4S/c16-11-12-13-14-15(11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,14,16)
InChIKeyJVUHNRBYOXLUKL-UHFFFAOYSA-N
XLogP2.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2H-tetrazole-5-thione?
The IUPAC name of 1-naphthalen-2-yl-2H-tetrazole-5-thione (CID 847410) is 1-naphthalen-2-yl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-naphthalen-2-yl-2H-tetrazole-5-thione?
The canonical SMILES for 1-naphthalen-2-yl-2H-tetrazole-5-thione is S=c1nn[nH]n1-c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2H-tetrazole-5-thione?
The InChIKey is JVUHNRBYOXLUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c16-11-12-13-14-15(11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,14,16).
What are the key properties of 1-naphthalen-2-yl-2H-tetrazole-5-thione?
1-naphthalen-2-yl-2H-tetrazole-5-thione has a molecular weight of 228.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2H-tetrazole-5-thione is sourced from PubChem (CID 847410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).