methylsulfanylmethylsulfanyl sulfate

C2H5O4S3- — CID 19909882

IUPACmethylsulfanylmethylsulfanyl sulfate
SMILESCSCSOS(=O)(=O)[O-]
InChIInChI=1S/C2H6O4S3/c1-7-2-8-6-9(3,4)5/h2H2,1H3,(H,3,4,5)/p-1
InChIKeyATPMQVKJRQKXJL-UHFFFAOYSA-M
MW189.26 g/mol
LogP0.43
Rot. Bonds4

About methylsulfanylmethylsulfanyl sulfate

methylsulfanylmethylsulfanyl sulfate (PubChem CID 19909882) has the molecular formula C2H5O4S3- and a molecular weight of 189.26 g/mol. Its IUPAC name is methylsulfanylmethylsulfanyl sulfate.

Molecular Properties

Compound Namemethylsulfanylmethylsulfanyl sulfate
PubChem CID19909882
Molecular FormulaC2H5O4S3-
Molecular Weight189.26 g/mol
Exact Mass188.94
IUPAC Namemethylsulfanylmethylsulfanyl sulfate
SMILESCSCSOS(=O)(=O)[O-]
InChIInChI=1S/C2H6O4S3/c1-7-2-8-6-9(3,4)5/h2H2,1H3,(H,3,4,5)/p-1
InChIKeyATPMQVKJRQKXJL-UHFFFAOYSA-M
XLogP0.43
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium methylsulfanyl sulfate
CID 87172296
sodium pentylsulfanyl sulfate
CID 23683265
sodium prop-2-enylsulfanyl sulfate
CID 23674984
3-cyanopropylsulfanyl sulfate
CID 23326238
gold(1+);methyl sulfate
CID 11965801
(3-chlorophenyl)methylsulfanyl sulfate
CID 23326317
ethyl sulfate;yttrium(3+)
CID 57361497
dysprosium(3+);ethyl sulfate
CID 57346753
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;thulium(3+)
CID 25022214
ethyl-methyl-bis(prop-2-enyl)azanium;methyl sulfate
CID 89482961
4-(1,3-dioxoisoindol-2-yl)butylsulfanyl sulfate
CID 23326213

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylsulfanyl sulfate?
The IUPAC name of methylsulfanylmethylsulfanyl sulfate (CID 19909882) is methylsulfanylmethylsulfanyl sulfate.
What is the SMILES notation for methylsulfanylmethylsulfanyl sulfate?
The canonical SMILES for methylsulfanylmethylsulfanyl sulfate is CSCSOS(=O)(=O)[O-].
What is the InChIKey of methylsulfanylmethylsulfanyl sulfate?
The InChIKey is ATPMQVKJRQKXJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S3/c1-7-2-8-6-9(3,4)5/h2H2,1H3,(H,3,4,5)/p-1.
What are the key properties of methylsulfanylmethylsulfanyl sulfate?
methylsulfanylmethylsulfanyl sulfate has a molecular weight of 189.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylsulfanyl sulfate is sourced from PubChem (CID 19909882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).