sulfanyl N,N-dimethylcarbamodithioate

C3H7NS3 — CID 21477400

IUPACsulfanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SS
InChIInChI=1S/C3H7NS3/c1-4(2)3(5)7-6/h6H,1-2H3
InChIKeyAUMTWBGCPTZWAF-UHFFFAOYSA-N
MW153.30 g/mol
LogP1.41
Rot. Bonds

About sulfanyl N,N-dimethylcarbamodithioate

sulfanyl N,N-dimethylcarbamodithioate (PubChem CID 21477400) has the molecular formula C3H7NS3 and a molecular weight of 153.30 g/mol. Its IUPAC name is sulfanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namesulfanyl N,N-dimethylcarbamodithioate
PubChem CID21477400
Molecular FormulaC3H7NS3
Molecular Weight153.30 g/mol
Exact Mass152.97
IUPAC Namesulfanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SS
InChIInChI=1S/C3H7NS3/c1-4(2)3(5)7-6/h6H,1-2H3
InChIKeyAUMTWBGCPTZWAF-UHFFFAOYSA-N
XLogP1.41
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sulfanyl N,N-dimethylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sulfanyl N,N-dimethylcarbamodithioate?
The IUPAC name of sulfanyl N,N-dimethylcarbamodithioate (CID 21477400) is sulfanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for sulfanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for sulfanyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SS.
What is the InChIKey of sulfanyl N,N-dimethylcarbamodithioate?
The InChIKey is AUMTWBGCPTZWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS3/c1-4(2)3(5)7-6/h6H,1-2H3.
What are the key properties of sulfanyl N,N-dimethylcarbamodithioate?
sulfanyl N,N-dimethylcarbamodithioate has a molecular weight of 153.30 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 21477400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).