2,3-bis(diethylamino)cycloprop-2-ene-1-thione

C11H20N2S — CID 13329914

IUPAC2,3-bis(diethylamino)cycloprop-2-ene-1-thione
SMILESCCN(CC)c1c(N(CC)CC)c1=S
InChIInChI=1S/C11H20N2S/c1-5-12(6-2)9-10(11(9)14)13(7-3)8-4/h5-8H2,1-4H3
InChIKeyMZZRPGIKBRYGQW-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds6

About 2,3-bis(diethylamino)cycloprop-2-ene-1-thione

2,3-bis(diethylamino)cycloprop-2-ene-1-thione (PubChem CID 13329914) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,3-bis(diethylamino)cycloprop-2-ene-1-thione.

Molecular Properties

Compound Name2,3-bis(diethylamino)cycloprop-2-ene-1-thione
PubChem CID13329914
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,3-bis(diethylamino)cycloprop-2-ene-1-thione
SMILESCCN(CC)c1c(N(CC)CC)c1=S
InChIInChI=1S/C11H20N2S/c1-5-12(6-2)9-10(11(9)14)13(7-3)8-4/h5-8H2,1-4H3
InChIKeyMZZRPGIKBRYGQW-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,3-bis(diethylamino)cycloprop-2-ene-1-thione?
The IUPAC name of 2,3-bis(diethylamino)cycloprop-2-ene-1-thione (CID 13329914) is 2,3-bis(diethylamino)cycloprop-2-ene-1-thione.
What is the SMILES notation for 2,3-bis(diethylamino)cycloprop-2-ene-1-thione?
The canonical SMILES for 2,3-bis(diethylamino)cycloprop-2-ene-1-thione is CCN(CC)c1c(N(CC)CC)c1=S.
What is the InChIKey of 2,3-bis(diethylamino)cycloprop-2-ene-1-thione?
The InChIKey is MZZRPGIKBRYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-12(6-2)9-10(11(9)14)13(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of 2,3-bis(diethylamino)cycloprop-2-ene-1-thione?
2,3-bis(diethylamino)cycloprop-2-ene-1-thione has a molecular weight of 212.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(diethylamino)cycloprop-2-ene-1-thione is sourced from PubChem (CID 13329914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).