1-cyclopropyl-2H-tetrazole-5-thione

C4H6N4S — CID 7131465

IUPAC1-cyclopropyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CC1
InChIInChI=1S/C4H6N4S/c9-4-5-6-7-8(4)3-1-2-3/h3H,1-2H2,(H,5,7,9)
InChIKeyGBAMURSLHHWGCH-UHFFFAOYSA-N
MW142.19 g/mol
LogP0.67
Rot. Bonds1

About 1-cyclopropyl-2H-tetrazole-5-thione

1-cyclopropyl-2H-tetrazole-5-thione (PubChem CID 7131465) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is 1-cyclopropyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-cyclopropyl-2H-tetrazole-5-thione
PubChem CID7131465
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name1-cyclopropyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CC1
InChIInChI=1S/C4H6N4S/c9-4-5-6-7-8(4)3-1-2-3/h3H,1-2H2,(H,5,7,9)
InChIKeyGBAMURSLHHWGCH-UHFFFAOYSA-N
XLogP0.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 50.67
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-cyclopropyl-2H-tetrazole-5-thione?
The IUPAC name of 1-cyclopropyl-2H-tetrazole-5-thione (CID 7131465) is 1-cyclopropyl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-cyclopropyl-2H-tetrazole-5-thione?
The canonical SMILES for 1-cyclopropyl-2H-tetrazole-5-thione is S=c1nn[nH]n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2H-tetrazole-5-thione?
The InChIKey is GBAMURSLHHWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c9-4-5-6-7-8(4)3-1-2-3/h3H,1-2H2,(H,5,7,9).
What are the key properties of 1-cyclopropyl-2H-tetrazole-5-thione?
1-cyclopropyl-2H-tetrazole-5-thione has a molecular weight of 142.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2H-tetrazole-5-thione is sourced from PubChem (CID 7131465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).