N-ethylethanamine;sulfuryl dichloride

C4H11Cl2NO2S — CID 174619621

IUPACN-ethylethanamine;sulfuryl dichloride
SMILESCCNCC.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H11N.Cl2O2S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;
InChIKeyHZKZXCROEHGCAK-UHFFFAOYSA-N
MW208.11 g/mol
LogP1.32
Rot. Bonds2

About N-ethylethanamine;sulfuryl dichloride

N-ethylethanamine;sulfuryl dichloride (PubChem CID 174619621) has the molecular formula C4H11Cl2NO2S and a molecular weight of 208.11 g/mol. Its IUPAC name is N-ethylethanamine;sulfuryl dichloride.

Molecular Properties

Compound NameN-ethylethanamine;sulfuryl dichloride
PubChem CID174619621
Molecular FormulaC4H11Cl2NO2S
Molecular Weight208.11 g/mol
Exact Mass206.99
IUPAC NameN-ethylethanamine;sulfuryl dichloride
SMILESCCNCC.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H11N.Cl2O2S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;
InChIKeyHZKZXCROEHGCAK-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethylethanamine;oxoiron
CID 175322821
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;λ2-plumbane
CID 174566138
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;titanium(4+)
CID 21151065
carbon dioxide;bis(N-ethylethanamine)
CID 160826902
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
tetrakis(N-ethylethanamine);phosphane;hydrobromide
CID 175008445
N-ethylethanamine;methylphosphane
CID 174625053
N-ethylethanamine;methane;phosphane
CID 174671169

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;sulfuryl dichloride?
The IUPAC name of N-ethylethanamine;sulfuryl dichloride (CID 174619621) is N-ethylethanamine;sulfuryl dichloride.
What is the SMILES notation for N-ethylethanamine;sulfuryl dichloride?
The canonical SMILES for N-ethylethanamine;sulfuryl dichloride is CCNCC.O=S(=O)(Cl)Cl.
What is the InChIKey of N-ethylethanamine;sulfuryl dichloride?
The InChIKey is HZKZXCROEHGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Cl2O2S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;.
What are the key properties of N-ethylethanamine;sulfuryl dichloride?
N-ethylethanamine;sulfuryl dichloride has a molecular weight of 208.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;sulfuryl dichloride is sourced from PubChem (CID 174619621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).