2-sulfanylacetic acid;1-sulfanylethanol

C4H10O3S2 — CID 87683546

IUPAC2-sulfanylacetic acid;1-sulfanylethanol
SMILESCC(O)S.O=C(O)CS
InChIInChI=1S/C2H4O2S.C2H6OS/c3-2(4)1-5;1-2(3)4/h5H,1H2,(H,3,4);2-4H,1H3
InChIKeyJPKZEJXAVCJJIE-UHFFFAOYSA-N
MW170.25 g/mol
LogP0.26
Rot. Bonds1

About 2-sulfanylacetic acid;1-sulfanylethanol

2-sulfanylacetic acid;1-sulfanylethanol (PubChem CID 87683546) has the molecular formula C4H10O3S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-sulfanylacetic acid;1-sulfanylethanol.

Molecular Properties

Compound Name2-sulfanylacetic acid;1-sulfanylethanol
PubChem CID87683546
Molecular FormulaC4H10O3S2
Molecular Weight170.25 g/mol
Exact Mass170.01
IUPAC Name2-sulfanylacetic acid;1-sulfanylethanol
SMILESCC(O)S.O=C(O)CS
InChIInChI=1S/C2H4O2S.C2H6OS/c3-2(4)1-5;1-2(3)4/h5H,1H2,(H,3,4);2-4H,1H3
InChIKeyJPKZEJXAVCJJIE-UHFFFAOYSA-N
XLogP0.26
TPSA57.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-sulfanylacetic acid;hydrochloride
CID 87316601
butane-1,1-dithiol;bis(2-sulfanylacetic acid)
CID 159854411
2-sulfanylacetic acid;2-sulfanylbutanoic acid
CID 87126143
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
strontium;hydride;2-sulfanylacetic acid
CID 173001383
docosanoic acid;1-sulfanylethanol
CID 159479410
2-oxo-2-sulfanylacetic acid;2-sulfanylacetic acid
CID 87248159
ethane-1,2-diamine;2-sulfanylacetic acid
CID 161137950
ethane-1,2-diol;bis(2-sulfanylacetic acid);hydrate
CID 175262329

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetic acid;1-sulfanylethanol?
The IUPAC name of 2-sulfanylacetic acid;1-sulfanylethanol (CID 87683546) is 2-sulfanylacetic acid;1-sulfanylethanol.
What is the SMILES notation for 2-sulfanylacetic acid;1-sulfanylethanol?
The canonical SMILES for 2-sulfanylacetic acid;1-sulfanylethanol is CC(O)S.O=C(O)CS.
What is the InChIKey of 2-sulfanylacetic acid;1-sulfanylethanol?
The InChIKey is JPKZEJXAVCJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.C2H6OS/c3-2(4)1-5;1-2(3)4/h5H,1H2,(H,3,4);2-4H,1H3.
What are the key properties of 2-sulfanylacetic acid;1-sulfanylethanol?
2-sulfanylacetic acid;1-sulfanylethanol has a molecular weight of 170.25 g/mol, XLogP of 0.26, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetic acid;1-sulfanylethanol is sourced from PubChem (CID 87683546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).