1-tert-butyl-2H-tetrazole-5-thione;hydrochloride

C5H11ClN4S — CID 22152580

IUPAC1-tert-butyl-2H-tetrazole-5-thione;hydrochloride
SMILESCC(C)(C)n1[nH]nnc1=S.Cl
InChIInChI=1S/C5H10N4S.ClH/c1-5(2,3)9-4(10)6-7-8-9;/h1-3H3,(H,6,8,10);1H
InChIKeyRHFLMUOOGQVHFR-UHFFFAOYSA-N
MW194.69 g/mol
LogP1.51
Rot. Bonds

About 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride

1-tert-butyl-2H-tetrazole-5-thione;hydrochloride (PubChem CID 22152580) has the molecular formula C5H11ClN4S and a molecular weight of 194.69 g/mol. Its IUPAC name is 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-2H-tetrazole-5-thione;hydrochloride
PubChem CID22152580
Molecular FormulaC5H11ClN4S
Molecular Weight194.69 g/mol
Exact Mass194.04
IUPAC Name1-tert-butyl-2H-tetrazole-5-thione;hydrochloride
SMILESCC(C)(C)n1[nH]nnc1=S.Cl
InChIInChI=1S/C5H10N4S.ClH/c1-5(2,3)9-4(10)6-7-8-9;/h1-3H3,(H,6,8,10);1H
InChIKeyRHFLMUOOGQVHFR-UHFFFAOYSA-N
XLogP1.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 51.51
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-tert-butyl-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
CID 2729625
1-(2-methylbutan-2-yl)-2H-tetrazole-5-thione
CID 19938992
1-(3-methylpentan-3-yl)-2H-tetrazole-5-thione
CID 106328900
1-(1-methylcyclopropyl)-2H-tetrazole-5-thione
CID 116192650
3-tert-butyl-1-ethyl-2H-tetrazol-3-ium-5-thione
CID 129767642

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride?
The IUPAC name of 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride (CID 22152580) is 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride.
What is the SMILES notation for 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride?
The canonical SMILES for 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride is CC(C)(C)n1[nH]nnc1=S.Cl.
What is the InChIKey of 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride?
The InChIKey is RHFLMUOOGQVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.ClH/c1-5(2,3)9-4(10)6-7-8-9;/h1-3H3,(H,6,8,10);1H.
What are the key properties of 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride?
1-tert-butyl-2H-tetrazole-5-thione;hydrochloride has a molecular weight of 194.69 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-tetrazole-5-thione;hydrochloride is sourced from PubChem (CID 22152580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).