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

C7H12N4S — CID 130727966

IUPAC1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione
SMILESCCC(C1CC1)n1[nH]nnc1=S
InChIInChI=1S/C7H12N4S/c1-2-6(5-3-4-5)11-7(12)8-9-10-11/h5-6H,2-4H2,1H3,(H,8,10,12)
InChIKeyMKXQZYVZDCOWQT-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.70
Rot. Bonds3

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

1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione (PubChem CID 130727966) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione
PubChem CID130727966
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione
SMILESCCC(C1CC1)n1[nH]nnc1=S
InChIInChI=1S/C7H12N4S/c1-2-6(5-3-4-5)11-7(12)8-9-10-11/h5-6H,2-4H2,1H3,(H,8,10,12)
InChIKeyMKXQZYVZDCOWQT-UHFFFAOYSA-N
XLogP1.70
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione (CID 130727966) is 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione is CCC(C1CC1)n1[nH]nnc1=S.
What is the InChIKey of 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione?
The InChIKey is MKXQZYVZDCOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-6(5-3-4-5)11-7(12)8-9-10-11/h5-6H,2-4H2,1H3,(H,8,10,12).
What are the key properties of 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione?
1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione has a molecular weight of 184.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 130727966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).