lithium N,N-dimethylcarbamodithioate

C3H6LiNS2 — CID 23716764

IUPAClithium N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].[Li+]
InChIInChI=1S/C3H7NS2.Li/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyMJRXXQVZOMOCLX-UHFFFAOYSA-M
MW127.16 g/mol
LogP-2.62
Rot. Bonds

About lithium N,N-dimethylcarbamodithioate

lithium N,N-dimethylcarbamodithioate (PubChem CID 23716764) has the molecular formula C3H6LiNS2 and a molecular weight of 127.16 g/mol. Its IUPAC name is lithium N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namelithium N,N-dimethylcarbamodithioate
PubChem CID23716764
Molecular FormulaC3H6LiNS2
Molecular Weight127.16 g/mol
Exact Mass127.01
IUPAC Namelithium N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].[Li+]
InChIInChI=1S/C3H7NS2.Li/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyMJRXXQVZOMOCLX-UHFFFAOYSA-M
XLogP-2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 5-2.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 lithium N,N-dimethylcarbamodithioate?
The IUPAC name of lithium N,N-dimethylcarbamodithioate (CID 23716764) is lithium N,N-dimethylcarbamodithioate.
What is the SMILES notation for lithium N,N-dimethylcarbamodithioate?
The canonical SMILES for lithium N,N-dimethylcarbamodithioate is CN(C)C(=S)[S-].[Li+].
What is the InChIKey of lithium N,N-dimethylcarbamodithioate?
The InChIKey is MJRXXQVZOMOCLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NS2.Li/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of lithium N,N-dimethylcarbamodithioate?
lithium N,N-dimethylcarbamodithioate has a molecular weight of 127.16 g/mol, XLogP of -2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethylcarbamodithioate is sourced from PubChem (CID 23716764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).