N-thiophen-2-ylcarbamodithioate;triethylazanium

C11H20N2S3 — CID 71718844

IUPACN-thiophen-2-ylcarbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])Nc1cccs1
InChIInChI=1S/C6H15N.C5H5NS3/c1-4-7(5-2)6-3;7-5(8)6-4-2-1-3-9-4/h4-6H2,1-3H3;1-3H,(H2,6,7,8)
InChIKeyHZCBXHIVZCSMSF-UHFFFAOYSA-N
MW276.50 g/mol
LogP1.92
Rot. Bonds4

About N-thiophen-2-ylcarbamodithioate;triethylazanium

N-thiophen-2-ylcarbamodithioate;triethylazanium (PubChem CID 71718844) has the molecular formula C11H20N2S3 and a molecular weight of 276.50 g/mol. Its IUPAC name is N-thiophen-2-ylcarbamodithioate;triethylazanium.

Molecular Properties

Compound NameN-thiophen-2-ylcarbamodithioate;triethylazanium
PubChem CID71718844
Molecular FormulaC11H20N2S3
Molecular Weight276.50 g/mol
Exact Mass276.08
IUPAC NameN-thiophen-2-ylcarbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])Nc1cccs1
InChIInChI=1S/C6H15N.C5H5NS3/c1-4-7(5-2)6-3;7-5(8)6-4-2-1-3-9-4/h4-6H2,1-3H3;1-3H,(H2,6,7,8)
InChIKeyHZCBXHIVZCSMSF-UHFFFAOYSA-N
XLogP1.92
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-ylcarbamodithioate;triethylazanium?
The IUPAC name of N-thiophen-2-ylcarbamodithioate;triethylazanium (CID 71718844) is N-thiophen-2-ylcarbamodithioate;triethylazanium.
What is the SMILES notation for N-thiophen-2-ylcarbamodithioate;triethylazanium?
The canonical SMILES for N-thiophen-2-ylcarbamodithioate;triethylazanium is CC[NH+](CC)CC.S=C([S-])Nc1cccs1.
What is the InChIKey of N-thiophen-2-ylcarbamodithioate;triethylazanium?
The InChIKey is HZCBXHIVZCSMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H5NS3/c1-4-7(5-2)6-3;7-5(8)6-4-2-1-3-9-4/h4-6H2,1-3H3;1-3H,(H2,6,7,8).
What are the key properties of N-thiophen-2-ylcarbamodithioate;triethylazanium?
N-thiophen-2-ylcarbamodithioate;triethylazanium has a molecular weight of 276.50 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-ylcarbamodithioate;triethylazanium is sourced from PubChem (CID 71718844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).