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

C8H16N8S2 — CID 141382473

IUPAC1-propan-2-yl-2H-tetrazole-5-thione
SMILESCC(C)n1[nH]nnc1=S.CC(C)n1[nH]nnc1=S
InChIInChI=1S/2C4H8N4S/c2*1-3(2)8-4(9)5-6-7-8/h2*3H,1-2H3,(H,5,7,9)
InChIKeyADVZICFINAOSSH-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.83
Rot. Bonds2

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

1-propan-2-yl-2H-tetrazole-5-thione (PubChem CID 141382473) has the molecular formula C8H16N8S2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-propan-2-yl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-propan-2-yl-2H-tetrazole-5-thione
PubChem CID141382473
Molecular FormulaC8H16N8S2
Molecular Weight288.41 g/mol
Exact Mass288.09
IUPAC Name1-propan-2-yl-2H-tetrazole-5-thione
SMILESCC(C)n1[nH]nnc1=S.CC(C)n1[nH]nnc1=S
InChIInChI=1S/2C4H8N4S/c2*1-3(2)8-4(9)5-6-7-8/h2*3H,1-2H3,(H,5,7,9)
InChIKeyADVZICFINAOSSH-UHFFFAOYSA-N
XLogP1.83
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-propan-2-yl-2H-tetrazole-5-thione?
The IUPAC name of 1-propan-2-yl-2H-tetrazole-5-thione (CID 141382473) is 1-propan-2-yl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-propan-2-yl-2H-tetrazole-5-thione?
The canonical SMILES for 1-propan-2-yl-2H-tetrazole-5-thione is CC(C)n1[nH]nnc1=S.CC(C)n1[nH]nnc1=S.
What is the InChIKey of 1-propan-2-yl-2H-tetrazole-5-thione?
The InChIKey is ADVZICFINAOSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8N4S/c2*1-3(2)8-4(9)5-6-7-8/h2*3H,1-2H3,(H,5,7,9).
What are the key properties of 1-propan-2-yl-2H-tetrazole-5-thione?
1-propan-2-yl-2H-tetrazole-5-thione has a molecular weight of 288.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2H-tetrazole-5-thione is sourced from PubChem (CID 141382473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).