N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide

C6H8N2OS2 — CID 174097861

IUPACN,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide
SMILESCN(C)C=Nc1cc(=O)ss1
InChIInChI=1S/C6H8N2OS2/c1-8(2)4-7-5-3-6(9)11-10-5/h3-4H,1-2H3
InChIKeyMEHQPNZMEWERDE-UHFFFAOYSA-N
MW188.28 g/mol
LogP1.39
Rot. Bonds2

About N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide

N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide (PubChem CID 174097861) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide
PubChem CID174097861
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC NameN,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide
SMILESCN(C)C=Nc1cc(=O)ss1
InChIInChI=1S/C6H8N2OS2/c1-8(2)4-7-5-3-6(9)11-10-5/h3-4H,1-2H3
InChIKeyMEHQPNZMEWERDE-UHFFFAOYSA-N
XLogP1.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide (CID 174097861) is N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide is CN(C)C=Nc1cc(=O)ss1.
What is the InChIKey of N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide?
The InChIKey is MEHQPNZMEWERDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-8(2)4-7-5-3-6(9)11-10-5/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide?
N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide has a molecular weight of 188.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide is sourced from PubChem (CID 174097861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).