2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol

C6H14O3S3 — CID 174804995

IUPAC2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
SMILESO=C(O)CS.SCCOCCS
InChIInChI=1S/C4H10OS2.C2H4O2S/c6-3-1-5-2-4-7;3-2(4)1-5/h6-7H,1-4H2;5H,1H2,(H,3,4)
InChIKeyOVCLRVRUVURORX-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.86
Rot. Bonds5

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

2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol (PubChem CID 174804995) has the molecular formula C6H14O3S3 and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol.

Molecular Properties

Compound Name2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
PubChem CID174804995
Molecular FormulaC6H14O3S3
Molecular Weight230.38 g/mol
Exact Mass230.01
IUPAC Name2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
SMILESO=C(O)CS.SCCOCCS
InChIInChI=1S/C4H10OS2.C2H4O2S/c6-3-1-5-2-4-7;3-2(4)1-5/h6-7H,1-4H2;5H,1H2,(H,3,4)
InChIKeyOVCLRVRUVURORX-UHFFFAOYSA-N
XLogP0.86
TPSA46.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-sulfanylethoxy)propanoic acid
CID 19987106
acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
CID 160861388
2-sulfanylacetic acid;hydrochloride
CID 87316601
cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
CID 159182397
ethane-1,2-diamine;2-sulfanylacetic acid
CID 161137950
strontium;hydride;2-sulfanylacetic acid
CID 173001383

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol?
The IUPAC name of 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol (CID 174804995) is 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol.
What is the SMILES notation for 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol?
The canonical SMILES for 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol is O=C(O)CS.SCCOCCS.
What is the InChIKey of 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol?
The InChIKey is OVCLRVRUVURORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2.C2H4O2S/c6-3-1-5-2-4-7;3-2(4)1-5/h6-7H,1-4H2;5H,1H2,(H,3,4).
What are the key properties of 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol?
2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol has a molecular weight of 230.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol is sourced from PubChem (CID 174804995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).