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

C10H18N4S — CID 62406860

IUPAC1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione
SMILESCCC(C1CCCCC1)n1[nH]nnc1=S
InChIInChI=1S/C10H18N4S/c1-2-9(8-6-4-3-5-7-8)14-10(15)11-12-13-14/h8-9H,2-7H2,1H3,(H,11,13,15)
InChIKeyQYFYKWNURDLNKS-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.87
Rot. Bonds3

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

1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione (PubChem CID 62406860) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione
PubChem CID62406860
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione
SMILESCCC(C1CCCCC1)n1[nH]nnc1=S
InChIInChI=1S/C10H18N4S/c1-2-9(8-6-4-3-5-7-8)14-10(15)11-12-13-14/h8-9H,2-7H2,1H3,(H,11,13,15)
InChIKeyQYFYKWNURDLNKS-UHFFFAOYSA-N
XLogP2.87
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.87
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-(1-cyclohexylpropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione (CID 62406860) is 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione is CCC(C1CCCCC1)n1[nH]nnc1=S.
What is the InChIKey of 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione?
The InChIKey is QYFYKWNURDLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-9(8-6-4-3-5-7-8)14-10(15)11-12-13-14/h8-9H,2-7H2,1H3,(H,11,13,15).
What are the key properties of 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione?
1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione has a molecular weight of 226.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 62406860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).