methyl(trioxido)-λ4-sulfane

CH3O3S-3 — CID 140692124

IUPACmethyl(trioxido)-λ4-sulfane
SMILESCS([O-])([O-])[O-]
InChIInChI=1S/CH6O3S/c1-5(2,3)4/h2-4H,1H3/p-3
InChIKeySRLQRYLPGNFEAI-UHFFFAOYSA-K
MW95.10 g/mol
LogP-0.19
Rot. Bonds

About methyl(trioxido)-λ4-sulfane

methyl(trioxido)-λ4-sulfane (PubChem CID 140692124) has the molecular formula CH3O3S-3 and a molecular weight of 95.10 g/mol. Its IUPAC name is methyl(trioxido)-λ4-sulfane.

Molecular Properties

Compound Namemethyl(trioxido)-λ4-sulfane
PubChem CID140692124
Molecular FormulaCH3O3S-3
Molecular Weight95.10 g/mol
Exact Mass94.98
IUPAC Namemethyl(trioxido)-λ4-sulfane
SMILESCS([O-])([O-])[O-]
InChIInChI=1S/CH6O3S/c1-5(2,3)4/h2-4H,1H3/p-3
InChIKeySRLQRYLPGNFEAI-UHFFFAOYSA-K
XLogP-0.19
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl(trioxido)-λ4-sulfane?
The IUPAC name of methyl(trioxido)-λ4-sulfane (CID 140692124) is methyl(trioxido)-λ4-sulfane.
What is the SMILES notation for methyl(trioxido)-λ4-sulfane?
The canonical SMILES for methyl(trioxido)-λ4-sulfane is CS([O-])([O-])[O-].
What is the InChIKey of methyl(trioxido)-λ4-sulfane?
The InChIKey is SRLQRYLPGNFEAI-UHFFFAOYSA-K. The full InChI is InChI=1S/CH6O3S/c1-5(2,3)4/h2-4H,1H3/p-3.
What are the key properties of methyl(trioxido)-λ4-sulfane?
methyl(trioxido)-λ4-sulfane has a molecular weight of 95.10 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(trioxido)-λ4-sulfane is sourced from PubChem (CID 140692124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).