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

C5H11ClN4S — CID 67900917

IUPAC1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride
SMILESCC(C)Cn1[nH]nnc1=S.Cl
InChIInChI=1S/C5H10N4S.ClH/c1-4(2)3-9-5(10)6-7-8-9;/h4H,3H2,1-2H3,(H,6,8,10);1H
InChIKeyHKDBHLWUNIKXIA-UHFFFAOYSA-N
MW194.69 g/mol
LogP1.41
Rot. Bonds2

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

1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride (PubChem CID 67900917) has the molecular formula C5H11ClN4S and a molecular weight of 194.69 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride
PubChem CID67900917
Molecular FormulaC5H11ClN4S
Molecular Weight194.69 g/mol
Exact Mass194.04
IUPAC Name1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride
SMILESCC(C)Cn1[nH]nnc1=S.Cl
InChIInChI=1S/C5H10N4S.ClH/c1-4(2)3-9-5(10)6-7-8-9;/h4H,3H2,1-2H3,(H,6,8,10);1H
InChIKeyHKDBHLWUNIKXIA-UHFFFAOYSA-N
XLogP1.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 51.41
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;hydrochloride?
The IUPAC name of 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride (CID 67900917) is 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride.
What is the SMILES notation for 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride?
The canonical SMILES for 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride is CC(C)Cn1[nH]nnc1=S.Cl.
What is the InChIKey of 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride?
The InChIKey is HKDBHLWUNIKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.ClH/c1-4(2)3-9-5(10)6-7-8-9;/h4H,3H2,1-2H3,(H,6,8,10);1H.
What are the key properties of 1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride?
1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride has a molecular weight of 194.69 g/mol, XLogP of 1.41, 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;hydrochloride is sourced from PubChem (CID 67900917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).