N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide

C6H9N3S3 — CID 174864959

IUPACN'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=NC1(C=S)N=CSS1
InChIInChI=1S/C6H9N3S3/c1-9(2)4-7-6(3-10)8-5-11-12-6/h3-5H,1-2H3
InChIKeyMYHDNOBGLAQQCP-UHFFFAOYSA-N
MW219.36 g/mol
LogP1.65
Rot. Bonds3

About N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide

N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 174864959) has the molecular formula C6H9N3S3 and a molecular weight of 219.36 g/mol. Its IUPAC name is N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide
PubChem CID174864959
Molecular FormulaC6H9N3S3
Molecular Weight219.36 g/mol
Exact Mass219.00
IUPAC NameN'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=NC1(C=S)N=CSS1
InChIInChI=1S/C6H9N3S3/c1-9(2)4-7-6(3-10)8-5-11-12-6/h3-5H,1-2H3
InChIKeyMYHDNOBGLAQQCP-UHFFFAOYSA-N
XLogP1.65
TPSA27.96 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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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

N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide
CID 146952875
N-ethyl-N-methyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
CID 174244993

Frequently Asked Questions

What is the IUPAC name of N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide (CID 174864959) is N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide is CN(C)C=NC1(C=S)N=CSS1.
What is the InChIKey of N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is MYHDNOBGLAQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S3/c1-9(2)4-7-6(3-10)8-5-11-12-6/h3-5H,1-2H3.
What are the key properties of N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide?
N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 219.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 174864959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).