methanesulfonic acid;1-sulfanylethanol

C3H10O4S2 — CID 174795676

IUPACmethanesulfonic acid;1-sulfanylethanol
SMILESCC(O)S.CS(=O)(=O)O
InChIInChI=1S/C2H6OS.CH4O3S/c1-2(3)4;1-5(2,3)4/h2-4H,1H3;1H3,(H,2,3,4)
InChIKeyZNNFHFACUBNWMV-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.24
Rot. Bonds

About methanesulfonic acid;1-sulfanylethanol

methanesulfonic acid;1-sulfanylethanol (PubChem CID 174795676) has the molecular formula C3H10O4S2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methanesulfonic acid;1-sulfanylethanol.

Molecular Properties

Compound Namemethanesulfonic acid;1-sulfanylethanol
PubChem CID174795676
Molecular FormulaC3H10O4S2
Molecular Weight174.24 g/mol
Exact Mass174.00
IUPAC Namemethanesulfonic acid;1-sulfanylethanol
SMILESCC(O)S.CS(=O)(=O)O
InChIInChI=1S/C2H6OS.CH4O3S/c1-2(3)4;1-5(2,3)4/h2-4H,1H3;1H3,(H,2,3,4)
InChIKeyZNNFHFACUBNWMV-UHFFFAOYSA-N
XLogP-0.24
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1-sulfanylethanol?
The IUPAC name of methanesulfonic acid;1-sulfanylethanol (CID 174795676) is methanesulfonic acid;1-sulfanylethanol.
What is the SMILES notation for methanesulfonic acid;1-sulfanylethanol?
The canonical SMILES for methanesulfonic acid;1-sulfanylethanol is CC(O)S.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;1-sulfanylethanol?
The InChIKey is ZNNFHFACUBNWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.CH4O3S/c1-2(3)4;1-5(2,3)4/h2-4H,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1-sulfanylethanol?
methanesulfonic acid;1-sulfanylethanol has a molecular weight of 174.24 g/mol, XLogP of -0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1-sulfanylethanol is sourced from PubChem (CID 174795676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).