sodium N,N-dimethylcarbamodithioate

C3H6NNaS2 — CID 560256

IUPACsodium N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].[Na+]
InChIInChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyVMSRVIHUFHQIAL-UHFFFAOYSA-M
MW143.21 g/mol
LogP-2.62
Rot. Bonds

About sodium N,N-dimethylcarbamodithioate

sodium N,N-dimethylcarbamodithioate (PubChem CID 560256) has the molecular formula C3H6NNaS2 and a molecular weight of 143.21 g/mol. Its IUPAC name is sodium N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namesodium N,N-dimethylcarbamodithioate
PubChem CID560256
Molecular FormulaC3H6NNaS2
Molecular Weight143.21 g/mol
Exact Mass142.98
IUPAC Namesodium N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].[Na+]
InChIInChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyVMSRVIHUFHQIAL-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 ≤ 500143.21
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 sodium N,N-dimethylcarbamodithioate?
The IUPAC name of sodium N,N-dimethylcarbamodithioate (CID 560256) is sodium N,N-dimethylcarbamodithioate.
What is the SMILES notation for sodium N,N-dimethylcarbamodithioate?
The canonical SMILES for sodium N,N-dimethylcarbamodithioate is CN(C)C(=S)[S-].[Na+].
What is the InChIKey of sodium N,N-dimethylcarbamodithioate?
The InChIKey is VMSRVIHUFHQIAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium N,N-dimethylcarbamodithioate?
sodium N,N-dimethylcarbamodithioate has a molecular weight of 143.21 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 sodium N,N-dimethylcarbamodithioate is sourced from PubChem (CID 560256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).