1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione

C9H19N5S — CID 29069873

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCC(C)N(CCn1[nH]nnc1=S)C(C)C
InChIInChI=1S/C9H19N5S/c1-7(2)13(8(3)4)5-6-14-9(15)10-11-12-14/h7-8H,5-6H2,1-4H3,(H,10,12,15)
InChIKeyJXVYBFDKWRRSIU-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.45
Rot. Bonds5

About 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione

1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione (PubChem CID 29069873) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione
PubChem CID29069873
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCC(C)N(CCn1[nH]nnc1=S)C(C)C
InChIInChI=1S/C9H19N5S/c1-7(2)13(8(3)4)5-6-14-9(15)10-11-12-14/h7-8H,5-6H2,1-4H3,(H,10,12,15)
InChIKeyJXVYBFDKWRRSIU-UHFFFAOYSA-N
XLogP1.45
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione (CID 29069873) is 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione is CC(C)N(CCn1[nH]nnc1=S)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
The InChIKey is JXVYBFDKWRRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-7(2)13(8(3)4)5-6-14-9(15)10-11-12-14/h7-8H,5-6H2,1-4H3,(H,10,12,15).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione has a molecular weight of 229.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 29069873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).