sodium cyclohexylsulfanylmethanedithioate

C7H11NaS3 — CID 23705390

IUPACsodium cyclohexylsulfanylmethanedithioate
SMILESS=C([S-])SC1CCCCC1.[Na+]
InChIInChI=1S/C7H12S3.Na/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1
InChIKeyKYCNGUYGNPESBV-UHFFFAOYSA-M
MW214.36 g/mol
LogP-0.11
Rot. Bonds1

About sodium cyclohexylsulfanylmethanedithioate

sodium cyclohexylsulfanylmethanedithioate (PubChem CID 23705390) has the molecular formula C7H11NaS3 and a molecular weight of 214.36 g/mol. Its IUPAC name is sodium cyclohexylsulfanylmethanedithioate.

Molecular Properties

Compound Namesodium cyclohexylsulfanylmethanedithioate
PubChem CID23705390
Molecular FormulaC7H11NaS3
Molecular Weight214.36 g/mol
Exact Mass213.99
IUPAC Namesodium cyclohexylsulfanylmethanedithioate
SMILESS=C([S-])SC1CCCCC1.[Na+]
InChIInChI=1S/C7H12S3.Na/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1
InChIKeyKYCNGUYGNPESBV-UHFFFAOYSA-M
XLogP-0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium cyclohexylsulfanylmethanedithioate?
The IUPAC name of sodium cyclohexylsulfanylmethanedithioate (CID 23705390) is sodium cyclohexylsulfanylmethanedithioate.
What is the SMILES notation for sodium cyclohexylsulfanylmethanedithioate?
The canonical SMILES for sodium cyclohexylsulfanylmethanedithioate is S=C([S-])SC1CCCCC1.[Na+].
What is the InChIKey of sodium cyclohexylsulfanylmethanedithioate?
The InChIKey is KYCNGUYGNPESBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12S3.Na/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium cyclohexylsulfanylmethanedithioate?
sodium cyclohexylsulfanylmethanedithioate has a molecular weight of 214.36 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclohexylsulfanylmethanedithioate is sourced from PubChem (CID 23705390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).