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

C6H13N5S — CID 70453489

IUPAC1-(pentylamino)-2H-tetrazole-5-thione
SMILESCCCCCNn1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-2-3-4-5-7-11-6(12)8-9-10-11/h7H,2-5H2,1H3,(H,8,10,12)
InChIKeyTYQWQGWRXGUBMF-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.07
Rot. Bonds5

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

1-(pentylamino)-2H-tetrazole-5-thione (PubChem CID 70453489) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-(pentylamino)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(pentylamino)-2H-tetrazole-5-thione
PubChem CID70453489
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC Name1-(pentylamino)-2H-tetrazole-5-thione
SMILESCCCCCNn1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-2-3-4-5-7-11-6(12)8-9-10-11/h7H,2-5H2,1H3,(H,8,10,12)
InChIKeyTYQWQGWRXGUBMF-UHFFFAOYSA-N
XLogP1.07
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)-2H-tetrazole-5-thione?
The IUPAC name of 1-(pentylamino)-2H-tetrazole-5-thione (CID 70453489) is 1-(pentylamino)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(pentylamino)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(pentylamino)-2H-tetrazole-5-thione is CCCCCNn1[nH]nnc1=S.
What is the InChIKey of 1-(pentylamino)-2H-tetrazole-5-thione?
The InChIKey is TYQWQGWRXGUBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-2-3-4-5-7-11-6(12)8-9-10-11/h7H,2-5H2,1H3,(H,8,10,12).
What are the key properties of 1-(pentylamino)-2H-tetrazole-5-thione?
1-(pentylamino)-2H-tetrazole-5-thione has a molecular weight of 187.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)-2H-tetrazole-5-thione is sourced from PubChem (CID 70453489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).