1,3-oxazolidine-3-carbodithioate;triethylazanium

C10H22N2OS2 — CID 22766674

IUPAC1,3-oxazolidine-3-carbodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])N1CCOC1
InChIInChI=1S/C6H15N.C4H7NOS2/c1-4-7(5-2)6-3;7-4(8)5-1-2-6-3-5/h4-6H2,1-3H3;1-3H2,(H,7,8)
InChIKeyQVMBAZXLGVZGRR-UHFFFAOYSA-N
MW250.43 g/mol
LogP0.04
Rot. Bonds3

About 1,3-oxazolidine-3-carbodithioate;triethylazanium

1,3-oxazolidine-3-carbodithioate;triethylazanium (PubChem CID 22766674) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,3-oxazolidine-3-carbodithioate;triethylazanium.

Molecular Properties

Compound Name1,3-oxazolidine-3-carbodithioate;triethylazanium
PubChem CID22766674
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC Name1,3-oxazolidine-3-carbodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])N1CCOC1
InChIInChI=1S/C6H15N.C4H7NOS2/c1-4-7(5-2)6-3;7-4(8)5-1-2-6-3-5/h4-6H2,1-3H3;1-3H2,(H,7,8)
InChIKeyQVMBAZXLGVZGRR-UHFFFAOYSA-N
XLogP0.04
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 50.04
H-Bond Donors ≤ 51
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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Related Compounds

zinc bis(1,3-oxazolidine-3-carbodithioate)
CID 21453977
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103
bis(2,2-dimethyl-1,3-oxazolidine-3-carbodithioate);bis(triethylazanium)
CID 86736050
1,3-oxazolidine-3-carbothioamide
CID 57154446
1-(1,3-oxazolidin-3-yl)butane-1,3-dione
CID 127006878
ethane;1-morpholin-4-ylethanethione
CID 142226083
2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one
CID 67864855
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423
1-morpholin-4-yldodecane-1-thione
CID 10379215
methyl morpholine-4-carbodithioate
CID 5043631
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-3-carbodithioate;triethylazanium?
The IUPAC name of 1,3-oxazolidine-3-carbodithioate;triethylazanium (CID 22766674) is 1,3-oxazolidine-3-carbodithioate;triethylazanium.
What is the SMILES notation for 1,3-oxazolidine-3-carbodithioate;triethylazanium?
The canonical SMILES for 1,3-oxazolidine-3-carbodithioate;triethylazanium is CC[NH+](CC)CC.S=C([S-])N1CCOC1.
What is the InChIKey of 1,3-oxazolidine-3-carbodithioate;triethylazanium?
The InChIKey is QVMBAZXLGVZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H7NOS2/c1-4-7(5-2)6-3;7-4(8)5-1-2-6-3-5/h4-6H2,1-3H3;1-3H2,(H,7,8).
What are the key properties of 1,3-oxazolidine-3-carbodithioate;triethylazanium?
1,3-oxazolidine-3-carbodithioate;triethylazanium has a molecular weight of 250.43 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-3-carbodithioate;triethylazanium is sourced from PubChem (CID 22766674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).