sodium methylsulfanylmethanethioate

C2H3NaOS2 — CID 23687617

IUPACsodium methylsulfanylmethanethioate
SMILESCSC(=O)[S-].[Na+]
InChIInChI=1S/C2H4OS2.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyGZBHDSXHZMBKRZ-UHFFFAOYSA-M
MW130.17 g/mol
LogP-1.98
Rot. Bonds

About sodium methylsulfanylmethanethioate

sodium methylsulfanylmethanethioate (PubChem CID 23687617) has the molecular formula C2H3NaOS2 and a molecular weight of 130.17 g/mol. Its IUPAC name is sodium methylsulfanylmethanethioate.

Molecular Properties

Compound Namesodium methylsulfanylmethanethioate
PubChem CID23687617
Molecular FormulaC2H3NaOS2
Molecular Weight130.17 g/mol
Exact Mass129.95
IUPAC Namesodium methylsulfanylmethanethioate
SMILESCSC(=O)[S-].[Na+]
InChIInChI=1S/C2H4OS2.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyGZBHDSXHZMBKRZ-UHFFFAOYSA-M
XLogP-1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium methylsulfanylmethanethioate?
The IUPAC name of sodium methylsulfanylmethanethioate (CID 23687617) is sodium methylsulfanylmethanethioate.
What is the SMILES notation for sodium methylsulfanylmethanethioate?
The canonical SMILES for sodium methylsulfanylmethanethioate is CSC(=O)[S-].[Na+].
What is the InChIKey of sodium methylsulfanylmethanethioate?
The InChIKey is GZBHDSXHZMBKRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4OS2.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium methylsulfanylmethanethioate?
sodium methylsulfanylmethanethioate has a molecular weight of 130.17 g/mol, XLogP of -1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methylsulfanylmethanethioate is sourced from PubChem (CID 23687617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).