1-cyclohexyl-2H-tetrazole-5-thione

C7H12N4S — CID 708462

IUPAC1-cyclohexyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCCCC1
InChIInChI=1S/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12)
InChIKeyUFYPTOJTJONMJG-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.84
Rot. Bonds1

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

1-cyclohexyl-2H-tetrazole-5-thione (PubChem CID 708462) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-cyclohexyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-cyclohexyl-2H-tetrazole-5-thione
PubChem CID708462
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-cyclohexyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCCCC1
InChIInChI=1S/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12)
InChIKeyUFYPTOJTJONMJG-UHFFFAOYSA-N
XLogP1.84
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopentyl-1H-tetrazole-5-thiol
CID 729454
1-(4,4-difluorocyclohexyl)-2H-tetrazole-5-thione
CID 131187103
1-Cyclohexyl-2,5-dihydrotetrazole
CID 12048181
1-Hexyl-1,2-dihydro-5H-tetrazole-5-thione
CID 15765993
1-pentan-2-yl-2H-tetrazole-5-thione
CID 20652922
1-Pentyl-1H-tetrazole-5-thiol
CID 21315136
1-Amino-1-cyclohexylthiourea
CID 22299106
1-heptan-3-yl-2H-tetrazole-5-thione
CID 123422083
1-Cyclohexyl-4-methyltetrazole-5-thione
CID 140418242
1-(3-aminocyclohexyl)-2H-tetrazole-5-thione
CID 140448608
CID 141382481
CID 141382481
1-cyclohexyl-2H-tetrazol-4-ium-5-thione
CID 151997357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2H-tetrazole-5-thione?
The IUPAC name of 1-cyclohexyl-2H-tetrazole-5-thione (CID 708462) is 1-cyclohexyl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-cyclohexyl-2H-tetrazole-5-thione?
The canonical SMILES for 1-cyclohexyl-2H-tetrazole-5-thione is S=c1nn[nH]n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2H-tetrazole-5-thione?
The InChIKey is UFYPTOJTJONMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12).
What are the key properties of 1-cyclohexyl-2H-tetrazole-5-thione?
1-cyclohexyl-2H-tetrazole-5-thione has a molecular weight of 184.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2H-tetrazole-5-thione is sourced from PubChem (CID 708462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).