methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate

C8H10N4S2 — CID 13157216

IUPACmethyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C(\C)c1cnccn1
InChIInChI=1S/C8H10N4S2/c1-6(11-12-8(13)14-2)7-5-9-3-4-10-7/h3-5H,1-2H3,(H,12,13)/b11-6+
InChIKeyUVXNAQWLROHVSM-IZZDOVSWSA-N
MW226.33 g/mol
LogP1.44
Rot. Bonds2

About methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate

methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate (PubChem CID 13157216) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
PubChem CID13157216
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Namemethyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C(\C)c1cnccn1
InChIInChI=1S/C8H10N4S2/c1-6(11-12-8(13)14-2)7-5-9-3-4-10-7/h3-5H,1-2H3,(H,12,13)/b11-6+
InChIKeyUVXNAQWLROHVSM-IZZDOVSWSA-N
XLogP1.44
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
CID 3005689
dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide
CID 50911516
iron(3+);bis(N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate);chloride
CID 25154736
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium
CID 50912150
1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate?
The IUPAC name of methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate (CID 13157216) is methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate.
What is the SMILES notation for methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate?
The canonical SMILES for methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate is CSC(=S)N/N=C(\C)c1cnccn1.
What is the InChIKey of methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate?
The InChIKey is UVXNAQWLROHVSM-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-6(11-12-8(13)14-2)7-5-9-3-4-10-7/h3-5H,1-2H3,(H,12,13)/b11-6+.
What are the key properties of methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate?
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate has a molecular weight of 226.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate is sourced from PubChem (CID 13157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).