methylsulfanylmethyl methanedithioate

C3H6S3 — CID 102386197

IUPACmethylsulfanylmethyl methanedithioate
SMILESCSCSC=S
InChIInChI=1S/C3H6S3/c1-5-3-6-2-4/h2H,3H2,1H3
InChIKeyHUGJQJBADHYBPY-UHFFFAOYSA-N
MW138.28 g/mol
LogP2.00
Rot. Bonds3

About methylsulfanylmethyl methanedithioate

methylsulfanylmethyl methanedithioate (PubChem CID 102386197) has the molecular formula C3H6S3 and a molecular weight of 138.28 g/mol. Its IUPAC name is methylsulfanylmethyl methanedithioate.

Molecular Properties

Compound Namemethylsulfanylmethyl methanedithioate
PubChem CID102386197
Molecular FormulaC3H6S3
Molecular Weight138.28 g/mol
Exact Mass137.96
IUPAC Namemethylsulfanylmethyl methanedithioate
SMILESCSCSC=S
InChIInChI=1S/C3H6S3/c1-5-3-6-2-4/h2H,3H2,1H3
InChIKeyHUGJQJBADHYBPY-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethyl methanedithioate?
The IUPAC name of methylsulfanylmethyl methanedithioate (CID 102386197) is methylsulfanylmethyl methanedithioate.
What is the SMILES notation for methylsulfanylmethyl methanedithioate?
The canonical SMILES for methylsulfanylmethyl methanedithioate is CSCSC=S.
What is the InChIKey of methylsulfanylmethyl methanedithioate?
The InChIKey is HUGJQJBADHYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S3/c1-5-3-6-2-4/h2H,3H2,1H3.
What are the key properties of methylsulfanylmethyl methanedithioate?
methylsulfanylmethyl methanedithioate has a molecular weight of 138.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethyl methanedithioate is sourced from PubChem (CID 102386197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).