1-(propan-2-ylideneamino)-2H-tetrazole-5-thione

C4H7N5S — CID 13373737

IUPAC1-(propan-2-ylideneamino)-2H-tetrazole-5-thione
SMILESCC(C)=Nn1[nH]nnc1=S
InChIInChI=1S/C4H7N5S/c1-3(2)6-9-4(10)5-7-8-9/h1-2H3,(H,5,8,10)
InChIKeyHCEDAGOGJMYTGT-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.58
Rot. Bonds1

About 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione

1-(propan-2-ylideneamino)-2H-tetrazole-5-thione (PubChem CID 13373737) has the molecular formula C4H7N5S and a molecular weight of 157.20 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)-2H-tetrazole-5-thione
PubChem CID13373737
Molecular FormulaC4H7N5S
Molecular Weight157.20 g/mol
Exact Mass157.04
IUPAC Name1-(propan-2-ylideneamino)-2H-tetrazole-5-thione
SMILESCC(C)=Nn1[nH]nnc1=S
InChIInChI=1S/C4H7N5S/c1-3(2)6-9-4(10)5-7-8-9/h1-2H3,(H,5,8,10)
InChIKeyHCEDAGOGJMYTGT-UHFFFAOYSA-N
XLogP0.58
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
The IUPAC name of 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione (CID 13373737) is 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione is CC(C)=Nn1[nH]nnc1=S.
What is the InChIKey of 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
The InChIKey is HCEDAGOGJMYTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5S/c1-3(2)6-9-4(10)5-7-8-9/h1-2H3,(H,5,8,10).
What are the key properties of 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
1-(propan-2-ylideneamino)-2H-tetrazole-5-thione has a molecular weight of 157.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylideneamino)-2H-tetrazole-5-thione is sourced from PubChem (CID 13373737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).