CID 161245298

CH4O7S2 — CID 161245298

IUPAC—
SMILESO=C=S(=O)(O)O.O=S(O)O
InChIInChI=1S/CH2O4S.H2O3S/c2-1-6(3,4)5;1-4(2)3/h(H2,3,4,5);(H2,1,2,3)
InChIKeyVAOAVIRBXVMZPH-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.03
Rot. Bonds

About CID 161245298

CID 161245298 (PubChem CID 161245298) has the molecular formula CH4O7S2 and a molecular weight of 192.17 g/mol.

Molecular Properties

Compound NameCID 161245298
PubChem CID161245298
Molecular FormulaCH4O7S2
Molecular Weight192.17 g/mol
Exact Mass191.94
IUPAC Name—
SMILESO=C=S(=O)(O)O.O=S(O)O
InChIInChI=1S/CH2O4S.H2O3S/c2-1-6(3,4)5;1-4(2)3/h(H2,3,4,5);(H2,1,2,3)
InChIKeyVAOAVIRBXVMZPH-UHFFFAOYSA-N
XLogP-1.03
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 161245298?
The IUPAC name of CID 161245298 (CID 161245298) is not available.
What is the SMILES notation for CID 161245298?
The canonical SMILES for CID 161245298 is O=C=S(=O)(O)O.O=S(O)O.
What is the InChIKey of CID 161245298?
The InChIKey is VAOAVIRBXVMZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O4S.H2O3S/c2-1-6(3,4)5;1-4(2)3/h(H2,3,4,5);(H2,1,2,3).
What are the key properties of CID 161245298?
CID 161245298 has a molecular weight of 192.17 g/mol, XLogP of -1.03, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161245298 is sourced from PubChem (CID 161245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).