O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate

C10H19NOS2 — CID 142771304

IUPACO-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate
SMILESCCOC(=S)C(C)C(=S)N(CC)CC
InChIInChI=1S/C10H19NOS2/c1-5-11(6-2)9(13)8(4)10(14)12-7-3/h8H,5-7H2,1-4H3
InChIKeyLGCVOOWVSLBSPB-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.66
Rot. Bonds5

About O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate

O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate (PubChem CID 142771304) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate.

Molecular Properties

Compound NameO-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate
PubChem CID142771304
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC NameO-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate
SMILESCCOC(=S)C(C)C(=S)N(CC)CC
InChIInChI=1S/C10H19NOS2/c1-5-11(6-2)9(13)8(4)10(14)12-7-3/h8H,5-7H2,1-4H3
InChIKeyLGCVOOWVSLBSPB-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-ethyl N,N-diisobutyl-thiocarbamate
CID 21542997
2-Methylpropoxymethanedithioate;tetraethylazanium
CID 138975035
O-(2-methylpropyl) N-ethyl-N-(2-methylpropyl)carbamothioate
CID 57032765
O-[3-(diethylamino)propyl] ethanethioate
CID 87132410
3-[3-[Methyl(2-methylpropyl)amino]propoxy]propane-1-thiol
CID 169214839
O-ethyl 3-(diethylamino)-2,2-dimethylpropanethioate
CID 12619328
Bis(3-ethoxypropyl)carbamodithioic acid
CID 85807055
3-Ethoxypropyl(propyl)carbamodithioic acid
CID 85807067

Frequently Asked Questions

What is the IUPAC name of O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate?
The IUPAC name of O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate (CID 142771304) is O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate.
What is the SMILES notation for O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate?
The canonical SMILES for O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate is CCOC(=S)C(C)C(=S)N(CC)CC.
What is the InChIKey of O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate?
The InChIKey is LGCVOOWVSLBSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-5-11(6-2)9(13)8(4)10(14)12-7-3/h8H,5-7H2,1-4H3.
What are the key properties of O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate?
O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate has a molecular weight of 233.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl 3-(diethylamino)-2-methyl-3-sulfanylidenepropanethioate is sourced from PubChem (CID 142771304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).