oxidosulfonothioylmethanol

CH3O3S2- — CID 22944870

IUPACoxidosulfonothioylmethanol
SMILESO=S([O-])(=S)CO
InChIInChI=1S/CH4O3S2/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)/p-1
InChIKeyFABKBWGPSRWSEK-UHFFFAOYSA-M
MW127.17 g/mol
LogP-1.19
Rot. Bonds1

About oxidosulfonothioylmethanol

oxidosulfonothioylmethanol (PubChem CID 22944870) has the molecular formula CH3O3S2- and a molecular weight of 127.17 g/mol. Its IUPAC name is oxidosulfonothioylmethanol.

Molecular Properties

Compound Nameoxidosulfonothioylmethanol
PubChem CID22944870
Molecular FormulaCH3O3S2-
Molecular Weight127.17 g/mol
Exact Mass126.95
IUPAC Nameoxidosulfonothioylmethanol
SMILESO=S([O-])(=S)CO
InChIInChI=1S/CH4O3S2/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)/p-1
InChIKeyFABKBWGPSRWSEK-UHFFFAOYSA-M
XLogP-1.19
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxidosulfonothioylmethanol?
The IUPAC name of oxidosulfonothioylmethanol (CID 22944870) is oxidosulfonothioylmethanol.
What is the SMILES notation for oxidosulfonothioylmethanol?
The canonical SMILES for oxidosulfonothioylmethanol is O=S([O-])(=S)CO.
What is the InChIKey of oxidosulfonothioylmethanol?
The InChIKey is FABKBWGPSRWSEK-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S2/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)/p-1.
What are the key properties of oxidosulfonothioylmethanol?
oxidosulfonothioylmethanol has a molecular weight of 127.17 g/mol, XLogP of -1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxidosulfonothioylmethanol is sourced from PubChem (CID 22944870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).