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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Related Compounds

1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 6182895
copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
CID 72672069
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)propylidene]amino]thiourea
CID 177393867
1-methyl-3-[(Z)-2-oxoethylideneamino]thiourea
CID 102431292
1-(but-2-enylideneamino)-3-methylthiourea
CID 3644259
1-ethyl-3-[(Z)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-1-pyridin-2-ylethylidene]amino]thiourea
CID 162740768
copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea
CID 10450672
1-ethyl-3-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]thiourea;dihydrate
CID 139079977
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 6902686
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea;propane
CID 172974668
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728669
1-ethyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]thiourea
CID 135468189

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).