[ethyl(hydroxysulfinothioyl)amino]ethane

C4H11NOS2 — CID 87078499

IUPAC[ethyl(hydroxysulfinothioyl)amino]ethane
SMILESCCN(CC)S(O)=S
InChIInChI=1S/C4H11NOS2/c1-3-5(4-2)8(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyXMWKMDHUKCVVGS-UHFFFAOYSA-N
MW153.27 g/mol
LogP0.80
Rot. Bonds3

About [ethyl(hydroxysulfinothioyl)amino]ethane

[ethyl(hydroxysulfinothioyl)amino]ethane (PubChem CID 87078499) has the molecular formula C4H11NOS2 and a molecular weight of 153.27 g/mol. Its IUPAC name is [ethyl(hydroxysulfinothioyl)amino]ethane.

Molecular Properties

Compound Name[ethyl(hydroxysulfinothioyl)amino]ethane
PubChem CID87078499
Molecular FormulaC4H11NOS2
Molecular Weight153.27 g/mol
Exact Mass153.03
IUPAC Name[ethyl(hydroxysulfinothioyl)amino]ethane
SMILESCCN(CC)S(O)=S
InChIInChI=1S/C4H11NOS2/c1-3-5(4-2)8(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyXMWKMDHUKCVVGS-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [ethyl(hydroxysulfinothioyl)amino]ethane?
The IUPAC name of [ethyl(hydroxysulfinothioyl)amino]ethane (CID 87078499) is [ethyl(hydroxysulfinothioyl)amino]ethane.
What is the SMILES notation for [ethyl(hydroxysulfinothioyl)amino]ethane?
The canonical SMILES for [ethyl(hydroxysulfinothioyl)amino]ethane is CCN(CC)S(O)=S.
What is the InChIKey of [ethyl(hydroxysulfinothioyl)amino]ethane?
The InChIKey is XMWKMDHUKCVVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS2/c1-3-5(4-2)8(6)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of [ethyl(hydroxysulfinothioyl)amino]ethane?
[ethyl(hydroxysulfinothioyl)amino]ethane has a molecular weight of 153.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(hydroxysulfinothioyl)amino]ethane is sourced from PubChem (CID 87078499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).