N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide

C6H9N3S3 — CID 174244993

IUPACN-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
SMILESCCN(C)C=Nc1nc(=S)ss1
InChIInChI=1S/C6H9N3S3/c1-3-9(2)4-7-5-8-6(10)12-11-5/h4H,3H2,1-2H3
InChIKeyOUYZBRAGKYRGAG-UHFFFAOYSA-N
MW219.36 g/mol
LogP2.55
Rot. Bonds3

About N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide

N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide (PubChem CID 174244993) has the molecular formula C6H9N3S3 and a molecular weight of 219.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
PubChem CID174244993
Molecular FormulaC6H9N3S3
Molecular Weight219.36 g/mol
Exact Mass219.00
IUPAC NameN-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
SMILESCCN(C)C=Nc1nc(=S)ss1
InChIInChI=1S/C6H9N3S3/c1-3-9(2)4-7-5-8-6(10)12-11-5/h4H,3H2,1-2H3
InChIKeyOUYZBRAGKYRGAG-UHFFFAOYSA-N
XLogP2.55
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione
CID 45094802
N,N-diethyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
CID 75046918
N-methyl-N-propan-2-yl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
CID 174245066
N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide
CID 174864959
N,N-diethyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
CID 44544237
[5-(Diethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium
CID 85529376
N-ethyl-4-methyl-1,2,4-thiadiazol-5-imine
CID 119097135
5-(Diethylamino)-1,2,4-dithiazole-3-thione
CID 119098636
4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine
CID 131886722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide (CID 174244993) is N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide is CCN(C)C=Nc1nc(=S)ss1.
What is the InChIKey of N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide?
The InChIKey is OUYZBRAGKYRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S3/c1-3-9(2)4-7-5-8-6(10)12-11-5/h4H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide?
N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide has a molecular weight of 219.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide is sourced from PubChem (CID 174244993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).