1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea

C7H14N6S2 — CID 24951716

IUPAC1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
SMILESCCNC(=S)N/N=C/C=N/NC(=S)NC
InChIInChI=1S/C7H14N6S2/c1-3-9-7(15)13-11-5-4-10-12-6(14)8-2/h4-5H,3H2,1-2H3,(H2,8,12,14)(H2,9,13,15)/b10-4+,11-5+
InChIKeyRPZCWYXGFFIBNO-ZVSIBQGLSA-N
MW246.37 g/mol
LogP-0.46
Rot. Bonds4

About 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea

1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea (PubChem CID 24951716) has the molecular formula C7H14N6S2 and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
PubChem CID24951716
Molecular FormulaC7H14N6S2
Molecular Weight246.37 g/mol
Exact Mass246.07
IUPAC Name1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
SMILESCCNC(=S)N/N=C/C=N/NC(=S)NC
InChIInChI=1S/C7H14N6S2/c1-3-9-7(15)13-11-5-4-10-12-6(14)8-2/h4-5H,3H2,1-2H3,(H2,8,12,14)(H2,9,13,15)/b10-4+,11-5+
InChIKeyRPZCWYXGFFIBNO-ZVSIBQGLSA-N
XLogP-0.46
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
The IUPAC name of 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea (CID 24951716) is 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
The canonical SMILES for 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea is CCNC(=S)N/N=C/C=N/NC(=S)NC.
What is the InChIKey of 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
The InChIKey is RPZCWYXGFFIBNO-ZVSIBQGLSA-N. The full InChI is InChI=1S/C7H14N6S2/c1-3-9-7(15)13-11-5-4-10-12-6(14)8-2/h4-5H,3H2,1-2H3,(H2,8,12,14)(H2,9,13,15)/b10-4+,11-5+.
What are the key properties of 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea has a molecular weight of 246.37 g/mol, XLogP of -0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea is sourced from PubChem (CID 24951716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).