dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea

C8H11Cl2CuN5S — CID 3005689

IUPACdichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
SMILESCNC(=S)NN=C(C)c1cnccn1.Cl[Cu]Cl
InChIInChI=1S/C8H11N5S.2ClH.Cu/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7;;;/h3-5H,1-2H3,(H2,9,13,14);2*1H;/q;;;+2/p-2
InChIKeyQDDYSNVKNSALPF-UHFFFAOYSA-L
MW343.73 g/mol
LogP1.67
Rot. Bonds2

About dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea

dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea (PubChem CID 3005689) has the molecular formula C8H11Cl2CuN5S and a molecular weight of 343.73 g/mol. Its IUPAC name is dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Namedichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
PubChem CID3005689
Molecular FormulaC8H11Cl2CuN5S
Molecular Weight343.73 g/mol
Exact Mass341.94
IUPAC Namedichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
SMILESCNC(=S)NN=C(C)c1cnccn1.Cl[Cu]Cl
InChIInChI=1S/C8H11N5S.2ClH.Cu/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7;;;/h3-5H,1-2H3,(H2,9,13,14);2*1H;/q;;;+2/p-2
InChIKeyQDDYSNVKNSALPF-UHFFFAOYSA-L
XLogP1.67
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
iron(3+);bis(N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate);chloride
CID 25154736
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
1-butyl-3-(1-pyridin-2-ylethylideneamino)thiourea;dichlorocopper
CID 3005753
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea?
The IUPAC name of dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea (CID 3005689) is dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea.
What is the SMILES notation for dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea?
The canonical SMILES for dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea is CNC(=S)NN=C(C)c1cnccn1.Cl[Cu]Cl.
What is the InChIKey of dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea?
The InChIKey is QDDYSNVKNSALPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11N5S.2ClH.Cu/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7;;;/h3-5H,1-2H3,(H2,9,13,14);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea?
dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea has a molecular weight of 343.73 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 3005689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).