(methyldisulfanyl)methane;sulfuric acid

C2H8O4S3 — CID 172837638

IUPAC(methyldisulfanyl)methane;sulfuric acid
SMILESCSSC.O=S(=O)(O)O
InChIInChI=1S/C2H6S2.H2O4S/c1-3-4-2;1-5(2,3)4/h1-2H3;(H2,1,2,3,4)
InChIKeyWJFXMLRLVDSBPD-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.97
Rot. Bonds1

About (methyldisulfanyl)methane;sulfuric acid

(methyldisulfanyl)methane;sulfuric acid (PubChem CID 172837638) has the molecular formula C2H8O4S3 and a molecular weight of 192.28 g/mol. Its IUPAC name is (methyldisulfanyl)methane;sulfuric acid.

Molecular Properties

Compound Name(methyldisulfanyl)methane;sulfuric acid
PubChem CID172837638
Molecular FormulaC2H8O4S3
Molecular Weight192.28 g/mol
Exact Mass191.96
IUPAC Name(methyldisulfanyl)methane;sulfuric acid
SMILESCSSC.O=S(=O)(O)O
InChIInChI=1S/C2H6S2.H2O4S/c1-3-4-2;1-5(2,3)4/h1-2H3;(H2,1,2,3,4)
InChIKeyWJFXMLRLVDSBPD-UHFFFAOYSA-N
XLogP0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl)methane;sulfuric acid?
The IUPAC name of (methyldisulfanyl)methane;sulfuric acid (CID 172837638) is (methyldisulfanyl)methane;sulfuric acid.
What is the SMILES notation for (methyldisulfanyl)methane;sulfuric acid?
The canonical SMILES for (methyldisulfanyl)methane;sulfuric acid is CSSC.O=S(=O)(O)O.
What is the InChIKey of (methyldisulfanyl)methane;sulfuric acid?
The InChIKey is WJFXMLRLVDSBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.H2O4S/c1-3-4-2;1-5(2,3)4/h1-2H3;(H2,1,2,3,4).
What are the key properties of (methyldisulfanyl)methane;sulfuric acid?
(methyldisulfanyl)methane;sulfuric acid has a molecular weight of 192.28 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl)methane;sulfuric acid is sourced from PubChem (CID 172837638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).