disodium;chloromethane;sulfide

CH3ClNa2S — CID 175474867

IUPACdisodium;chloromethane;sulfide
SMILESCCl.[Na+].[Na+].[S-2]
InChIInChI=1S/CH3Cl.2Na.S/c1-2;;;/h1H3;;;/q;2*+1;-2
InChIKeyFKXVCWPPLVUJNG-UHFFFAOYSA-N
MW128.53 g/mol
LogP-5.14
Rot. Bonds

About disodium;chloromethane;sulfide

disodium;chloromethane;sulfide (PubChem CID 175474867) has the molecular formula CH3ClNa2S and a molecular weight of 128.53 g/mol. Its IUPAC name is disodium;chloromethane;sulfide.

Molecular Properties

Compound Namedisodium;chloromethane;sulfide
PubChem CID175474867
Molecular FormulaCH3ClNa2S
Molecular Weight128.53 g/mol
Exact Mass127.94
IUPAC Namedisodium;chloromethane;sulfide
SMILESCCl.[Na+].[Na+].[S-2]
InChIInChI=1S/CH3Cl.2Na.S/c1-2;;;/h1H3;;;/q;2*+1;-2
InChIKeyFKXVCWPPLVUJNG-UHFFFAOYSA-N
XLogP-5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.53
LogP ≤ 5-5.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of disodium;chloromethane;sulfide?
The IUPAC name of disodium;chloromethane;sulfide (CID 175474867) is disodium;chloromethane;sulfide.
What is the SMILES notation for disodium;chloromethane;sulfide?
The canonical SMILES for disodium;chloromethane;sulfide is CCl.[Na+].[Na+].[S-2].
What is the InChIKey of disodium;chloromethane;sulfide?
The InChIKey is FKXVCWPPLVUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.2Na.S/c1-2;;;/h1H3;;;/q;2*+1;-2.
What are the key properties of disodium;chloromethane;sulfide?
disodium;chloromethane;sulfide has a molecular weight of 128.53 g/mol, XLogP of -5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;chloromethane;sulfide is sourced from PubChem (CID 175474867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).