sodium N-methyl-N-sulfanylcarbamodithioate

C2H4NNaS3 — CID 172812180

IUPACsodium N-methyl-N-sulfanylcarbamodithioate
SMILESCN(S)C(=S)[S-].[Na+]
InChIInChI=1S/C2H5NS3.Na/c1-3(6)2(4)5;/h6H,1H3,(H,4,5);/q;+1/p-1
InChIKeySIEWCDZCGDRYEA-UHFFFAOYSA-M
MW161.25 g/mol
LogP-2.40
Rot. Bonds

About sodium N-methyl-N-sulfanylcarbamodithioate

sodium N-methyl-N-sulfanylcarbamodithioate (PubChem CID 172812180) has the molecular formula C2H4NNaS3 and a molecular weight of 161.25 g/mol. Its IUPAC name is sodium N-methyl-N-sulfanylcarbamodithioate.

Molecular Properties

Compound Namesodium N-methyl-N-sulfanylcarbamodithioate
PubChem CID172812180
Molecular FormulaC2H4NNaS3
Molecular Weight161.25 g/mol
Exact Mass160.94
IUPAC Namesodium N-methyl-N-sulfanylcarbamodithioate
SMILESCN(S)C(=S)[S-].[Na+]
InChIInChI=1S/C2H5NS3.Na/c1-3(6)2(4)5;/h6H,1H3,(H,4,5);/q;+1/p-1
InChIKeySIEWCDZCGDRYEA-UHFFFAOYSA-M
XLogP-2.40
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-methyl-N-sulfanylcarbamodithioate?
The IUPAC name of sodium N-methyl-N-sulfanylcarbamodithioate (CID 172812180) is sodium N-methyl-N-sulfanylcarbamodithioate.
What is the SMILES notation for sodium N-methyl-N-sulfanylcarbamodithioate?
The canonical SMILES for sodium N-methyl-N-sulfanylcarbamodithioate is CN(S)C(=S)[S-].[Na+].
What is the InChIKey of sodium N-methyl-N-sulfanylcarbamodithioate?
The InChIKey is SIEWCDZCGDRYEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NS3.Na/c1-3(6)2(4)5;/h6H,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium N-methyl-N-sulfanylcarbamodithioate?
sodium N-methyl-N-sulfanylcarbamodithioate has a molecular weight of 161.25 g/mol, XLogP of -2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-methyl-N-sulfanylcarbamodithioate is sourced from PubChem (CID 172812180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).