N-(pyrazine-2-carbonylamino)carbamodithioate

C6H5N4OS2- — CID 135545558

IUPACN-(pyrazine-2-carbonylamino)carbamodithioate
SMILESO=C(NNC(=S)[S-])c1cnccn1
InChIInChI=1S/C6H6N4OS2/c11-5(9-10-6(12)13)4-3-7-1-2-8-4/h1-3H,(H,9,11)(H2,10,12,13)/p-1
InChIKeyWPEWFXCRBJQSHL-UHFFFAOYSA-M
MW213.27 g/mol
LogP-0.46
Rot. Bonds1

About N-(pyrazine-2-carbonylamino)carbamodithioate

N-(pyrazine-2-carbonylamino)carbamodithioate (PubChem CID 135545558) has the molecular formula C6H5N4OS2- and a molecular weight of 213.27 g/mol. Its IUPAC name is N-(pyrazine-2-carbonylamino)carbamodithioate.

Molecular Properties

Compound NameN-(pyrazine-2-carbonylamino)carbamodithioate
PubChem CID135545558
Molecular FormulaC6H5N4OS2-
Molecular Weight213.27 g/mol
Exact Mass212.99
IUPAC NameN-(pyrazine-2-carbonylamino)carbamodithioate
SMILESO=C(NNC(=S)[S-])c1cnccn1
InChIInChI=1S/C6H6N4OS2/c11-5(9-10-6(12)13)4-3-7-1-2-8-4/h1-3H,(H,9,11)(H2,10,12,13)/p-1
InChIKeyWPEWFXCRBJQSHL-UHFFFAOYSA-M
XLogP-0.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
CID 141129728
dioxomolybdenum(2+);N-(pyrazine-2-carbonyl)-N-(sulfidocarbothioylamino)carbamodithioate
CID 87668906
N'-(2-methylbenzoyl)pyrazine-2-carbohydrazide
CID 793891
N'-[1-(4-hydroxyphenyl)ethenyl]pyrazine-2-carbohydrazide
CID 3484316
N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide
CID 24618527
N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]pyrazine-2-carbohydrazide
CID 24618561
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
CID 42015952
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775

Frequently Asked Questions

What is the IUPAC name of N-(pyrazine-2-carbonylamino)carbamodithioate?
The IUPAC name of N-(pyrazine-2-carbonylamino)carbamodithioate (CID 135545558) is N-(pyrazine-2-carbonylamino)carbamodithioate.
What is the SMILES notation for N-(pyrazine-2-carbonylamino)carbamodithioate?
The canonical SMILES for N-(pyrazine-2-carbonylamino)carbamodithioate is O=C(NNC(=S)[S-])c1cnccn1.
What is the InChIKey of N-(pyrazine-2-carbonylamino)carbamodithioate?
The InChIKey is WPEWFXCRBJQSHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N4OS2/c11-5(9-10-6(12)13)4-3-7-1-2-8-4/h1-3H,(H,9,11)(H2,10,12,13)/p-1.
What are the key properties of N-(pyrazine-2-carbonylamino)carbamodithioate?
N-(pyrazine-2-carbonylamino)carbamodithioate has a molecular weight of 213.27 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazine-2-carbonylamino)carbamodithioate is sourced from PubChem (CID 135545558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).