acetic acid;2-(2-sulfanylethoxy)ethanethiol

C6H14O3S2 — CID 162307882

IUPACacetic acid;2-(2-sulfanylethoxy)ethanethiol
SMILESCC(=O)O.SCCOCCS
InChIInChI=1S/C4H10OS2.C2H4O2/c6-3-1-5-2-4-7;1-2(3)4/h6-7H,1-4H2;1H3,(H,3,4)
InChIKeyKSDZUYDTYYDSDD-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.95
Rot. Bonds4

About acetic acid;2-(2-sulfanylethoxy)ethanethiol

acetic acid;2-(2-sulfanylethoxy)ethanethiol (PubChem CID 162307882) has the molecular formula C6H14O3S2 and a molecular weight of 198.31 g/mol. Its IUPAC name is acetic acid;2-(2-sulfanylethoxy)ethanethiol.

Molecular Properties

Compound Nameacetic acid;2-(2-sulfanylethoxy)ethanethiol
PubChem CID162307882
Molecular FormulaC6H14O3S2
Molecular Weight198.31 g/mol
Exact Mass198.04
IUPAC Nameacetic acid;2-(2-sulfanylethoxy)ethanethiol
SMILESCC(=O)O.SCCOCCS
InChIInChI=1S/C4H10OS2.C2H4O2/c6-3-1-5-2-4-7;1-2(3)4/h6-7H,1-4H2;1H3,(H,3,4)
InChIKeyKSDZUYDTYYDSDD-UHFFFAOYSA-N
XLogP0.95
TPSA46.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze acetic acid;2-(2-sulfanylethoxy)ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 174804995
acetic acid;2-methoxyethanethiol
CID 162333628
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
3-(2-sulfanylethoxy)propanoic acid
CID 19987106
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
CID 160861388
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
CID 159182397
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
2-(2-sulfanylethoxy)ethyl 2-methylpropanoate
CID 121415381
3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 142541968
CID 172913565
CID 172913565

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-sulfanylethoxy)ethanethiol?
The IUPAC name of acetic acid;2-(2-sulfanylethoxy)ethanethiol (CID 162307882) is acetic acid;2-(2-sulfanylethoxy)ethanethiol.
What is the SMILES notation for acetic acid;2-(2-sulfanylethoxy)ethanethiol?
The canonical SMILES for acetic acid;2-(2-sulfanylethoxy)ethanethiol is CC(=O)O.SCCOCCS.
What is the InChIKey of acetic acid;2-(2-sulfanylethoxy)ethanethiol?
The InChIKey is KSDZUYDTYYDSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2.C2H4O2/c6-3-1-5-2-4-7;1-2(3)4/h6-7H,1-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-sulfanylethoxy)ethanethiol?
acetic acid;2-(2-sulfanylethoxy)ethanethiol has a molecular weight of 198.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-sulfanylethoxy)ethanethiol is sourced from PubChem (CID 162307882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).