N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide

C8H11N5S2 — CID 6340093

IUPACN'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide
SMILESCSC(=N/N=C(\N)c1cnccn1)SC
InChIInChI=1S/C8H11N5S2/c1-14-8(15-2)13-12-7(9)6-5-10-3-4-11-6/h3-5H,1-2H3,(H2,9,12)
InChIKeyZYONAMYOGSDESZ-UHFFFAOYSA-N
MW241.35 g/mol
LogP1.18
Rot. Bonds2

About N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide

N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide (PubChem CID 6340093) has the molecular formula C8H11N5S2 and a molecular weight of 241.35 g/mol. Its IUPAC name is N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide
PubChem CID6340093
Molecular FormulaC8H11N5S2
Molecular Weight241.35 g/mol
Exact Mass241.05
IUPAC NameN'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide
SMILESCSC(=N/N=C(\N)c1cnccn1)SC
InChIInChI=1S/C8H11N5S2/c1-14-8(15-2)13-12-7(9)6-5-10-3-4-11-6/h3-5H,1-2H3,(H2,9,12)
InChIKeyZYONAMYOGSDESZ-UHFFFAOYSA-N
XLogP1.18
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide?
The IUPAC name of N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide (CID 6340093) is N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide is CSC(=N/N=C(\N)c1cnccn1)SC.
What is the InChIKey of N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide?
The InChIKey is ZYONAMYOGSDESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-14-8(15-2)13-12-7(9)6-5-10-3-4-11-6/h3-5H,1-2H3,(H2,9,12).
What are the key properties of N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide?
N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide has a molecular weight of 241.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[bis(methylsulfanyl)methylideneamino]pyrazine-2-carboximidamide is sourced from PubChem (CID 6340093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).