[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol

C7H10N4S — CID 174674695

IUPAC[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
SMILESCC(=NNCS)c1cnccn1
InChIInChI=1S/C7H10N4S/c1-6(11-10-5-12)7-4-8-2-3-9-7/h2-4,10,12H,5H2,1H3
InChIKeyONTJWYISECKRQX-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.68
Rot. Bonds3

About [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol

[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol (PubChem CID 174674695) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol.

Molecular Properties

Compound Name[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
PubChem CID174674695
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
SMILESCC(=NNCS)c1cnccn1
InChIInChI=1S/C7H10N4S/c1-6(11-10-5-12)7-4-8-2-3-9-7/h2-4,10,12H,5H2,1H3
InChIKeyONTJWYISECKRQX-UHFFFAOYSA-N
XLogP0.68
TPSA50.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
iron(3+);bis(N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate);chloride
CID 25154736
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
CID 3005689
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457

Frequently Asked Questions

What is the IUPAC name of [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol?
The IUPAC name of [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol (CID 174674695) is [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol.
What is the SMILES notation for [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol?
The canonical SMILES for [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol is CC(=NNCS)c1cnccn1.
What is the InChIKey of [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol?
The InChIKey is ONTJWYISECKRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-6(11-10-5-12)7-4-8-2-3-9-7/h2-4,10,12H,5H2,1H3.
What are the key properties of [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol?
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol has a molecular weight of 182.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol is sourced from PubChem (CID 174674695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).