2-(diethylamino)-1-ethyltetrazolidine-5-thione

C7H17N5S — CID 139632800

IUPAC2-(diethylamino)-1-ethyltetrazolidine-5-thione
SMILESCCN(CC)N1NNC(=S)N1CC
InChIInChI=1S/C7H17N5S/c1-4-10(5-2)12-9-8-7(13)11(12)6-3/h9H,4-6H2,1-3H3,(H,8,13)
InChIKeyVHXRBTCTGHMHHD-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.09
Rot. Bonds4

About 2-(diethylamino)-1-ethyltetrazolidine-5-thione

2-(diethylamino)-1-ethyltetrazolidine-5-thione (PubChem CID 139632800) has the molecular formula C7H17N5S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(diethylamino)-1-ethyltetrazolidine-5-thione.

Molecular Properties

Compound Name2-(diethylamino)-1-ethyltetrazolidine-5-thione
PubChem CID139632800
Molecular FormulaC7H17N5S
Molecular Weight203.31 g/mol
Exact Mass203.12
IUPAC Name2-(diethylamino)-1-ethyltetrazolidine-5-thione
SMILESCCN(CC)N1NNC(=S)N1CC
InChIInChI=1S/C7H17N5S/c1-4-10(5-2)12-9-8-7(13)11(12)6-3/h9H,4-6H2,1-3H3,(H,8,13)
InChIKeyVHXRBTCTGHMHHD-UHFFFAOYSA-N
XLogP0.09
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
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 2-(diethylamino)-1-ethyltetrazolidine-5-thione?
The IUPAC name of 2-(diethylamino)-1-ethyltetrazolidine-5-thione (CID 139632800) is 2-(diethylamino)-1-ethyltetrazolidine-5-thione.
What is the SMILES notation for 2-(diethylamino)-1-ethyltetrazolidine-5-thione?
The canonical SMILES for 2-(diethylamino)-1-ethyltetrazolidine-5-thione is CCN(CC)N1NNC(=S)N1CC.
What is the InChIKey of 2-(diethylamino)-1-ethyltetrazolidine-5-thione?
The InChIKey is VHXRBTCTGHMHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5S/c1-4-10(5-2)12-9-8-7(13)11(12)6-3/h9H,4-6H2,1-3H3,(H,8,13).
What are the key properties of 2-(diethylamino)-1-ethyltetrazolidine-5-thione?
2-(diethylamino)-1-ethyltetrazolidine-5-thione has a molecular weight of 203.31 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-ethyltetrazolidine-5-thione is sourced from PubChem (CID 139632800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).