1-(2-methylpropyl)-2H-tetrazole-5-thione

C5H10N4S — CID 8902202

IUPAC1-(2-methylpropyl)-2H-tetrazole-5-thione
SMILESCC(C)Cn1[nH]nnc1=S
InChIInChI=1S/C5H10N4S/c1-4(2)3-9-5(10)6-7-8-9/h4H,3H2,1-2H3,(H,6,8,10)
InChIKeyQRBOTQCENRLUTD-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.99
Rot. Bonds2

About 1-(2-methylpropyl)-2H-tetrazole-5-thione

1-(2-methylpropyl)-2H-tetrazole-5-thione (PubChem CID 8902202) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-methylpropyl)-2H-tetrazole-5-thione
PubChem CID8902202
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name1-(2-methylpropyl)-2H-tetrazole-5-thione
SMILESCC(C)Cn1[nH]nnc1=S
InChIInChI=1S/C5H10N4S/c1-4(2)3-9-5(10)6-7-8-9/h4H,3H2,1-2H3,(H,6,8,10)
InChIKeyQRBOTQCENRLUTD-UHFFFAOYSA-N
XLogP0.99
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.99
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-(2-methylpropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-methylpropyl)-2H-tetrazole-5-thione (CID 8902202) is 1-(2-methylpropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-methylpropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-methylpropyl)-2H-tetrazole-5-thione is CC(C)Cn1[nH]nnc1=S.
What is the InChIKey of 1-(2-methylpropyl)-2H-tetrazole-5-thione?
The InChIKey is QRBOTQCENRLUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-4(2)3-9-5(10)6-7-8-9/h4H,3H2,1-2H3,(H,6,8,10).
What are the key properties of 1-(2-methylpropyl)-2H-tetrazole-5-thione?
1-(2-methylpropyl)-2H-tetrazole-5-thione has a molecular weight of 158.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 8902202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).