2-aminosulfanylethyl acetate;ethane

C6H15NO2S — CID 170712445

IUPAC2-aminosulfanylethyl acetate;ethane
SMILESCC.CC(=O)OCCSN
InChIInChI=1S/C4H9NO2S.C2H6/c1-4(6)7-2-3-8-5;1-2/h2-3,5H2,1H3;1-2H3
InChIKeyTWFYZYPVTFEHGZ-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.18
Rot. Bonds3

About 2-aminosulfanylethyl acetate;ethane

2-aminosulfanylethyl acetate;ethane (PubChem CID 170712445) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-aminosulfanylethyl acetate;ethane.

Molecular Properties

Compound Name2-aminosulfanylethyl acetate;ethane
PubChem CID170712445
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-aminosulfanylethyl acetate;ethane
SMILESCC.CC(=O)OCCSN
InChIInChI=1S/C4H9NO2S.C2H6/c1-4(6)7-2-3-8-5;1-2/h2-3,5H2,1H3;1-2H3
InChIKeyTWFYZYPVTFEHGZ-UHFFFAOYSA-N
XLogP1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethylsulfanyl)ethyl acetate
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2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate
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2-(chloromethylsulfanyl)ethyl acetate
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2-[4-[4-(2-acetyloxyethylsulfanyl)phenoxy]phenyl]sulfanylethyl acetate
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11-acetyloxyundecyl acetate
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acetic acid;2-acetyloxyethyl acetate;azane
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bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-[2-[2-(2-acetyloxyethyldisulfanyl)ethoxy-methylphosphoryl]oxyethyldisulfanyl]ethyl acetate
CID 121315215
3-thiocyanatopropyl acetate
CID 10820856
CID 158105337
CID 158105337
propyl acetate;hydrate
CID 122690555
2-acetyloxyethyl acetate;silyl acetate
CID 173024816

Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanylethyl acetate;ethane?
The IUPAC name of 2-aminosulfanylethyl acetate;ethane (CID 170712445) is 2-aminosulfanylethyl acetate;ethane.
What is the SMILES notation for 2-aminosulfanylethyl acetate;ethane?
The canonical SMILES for 2-aminosulfanylethyl acetate;ethane is CC.CC(=O)OCCSN.
What is the InChIKey of 2-aminosulfanylethyl acetate;ethane?
The InChIKey is TWFYZYPVTFEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.C2H6/c1-4(6)7-2-3-8-5;1-2/h2-3,5H2,1H3;1-2H3.
What are the key properties of 2-aminosulfanylethyl acetate;ethane?
2-aminosulfanylethyl acetate;ethane has a molecular weight of 165.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanylethyl acetate;ethane is sourced from PubChem (CID 170712445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).