[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea

C8H14N6S2 — CID 6399292

IUPAC[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea
SMILESNC(=S)N/N=C1/CCCC/C1=N\NC(N)=S
InChIInChI=1S/C8H14N6S2/c9-7(15)13-11-5-3-1-2-4-6(5)12-14-8(10)16/h1-4H2,(H3,9,13,15)(H3,10,14,16)/b11-5-,12-6+
InChIKeyKUFDKDMUQRYPCC-JTAXDKCCSA-N
MW258.38 g/mol
LogP-0.06
Rot. Bonds2

About [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea

[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea (PubChem CID 6399292) has the molecular formula C8H14N6S2 and a molecular weight of 258.38 g/mol. Its IUPAC name is [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea
PubChem CID6399292
Molecular FormulaC8H14N6S2
Molecular Weight258.38 g/mol
Exact Mass258.07
IUPAC Name[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea
SMILESNC(=S)N/N=C1/CCCC/C1=N\NC(N)=S
InChIInChI=1S/C8H14N6S2/c9-7(15)13-11-5-3-1-2-4-6(5)12-14-8(10)16/h1-4H2,(H3,9,13,15)(H3,10,14,16)/b11-5-,12-6+
InChIKeyKUFDKDMUQRYPCC-JTAXDKCCSA-N
XLogP-0.06
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea?
The IUPAC name of [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea (CID 6399292) is [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea is NC(=S)N/N=C1/CCCC/C1=N\NC(N)=S.
What is the InChIKey of [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea?
The InChIKey is KUFDKDMUQRYPCC-JTAXDKCCSA-N. The full InChI is InChI=1S/C8H14N6S2/c9-7(15)13-11-5-3-1-2-4-6(5)12-14-8(10)16/h1-4H2,(H3,9,13,15)(H3,10,14,16)/b11-5-,12-6+.
What are the key properties of [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea?
[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea has a molecular weight of 258.38 g/mol, XLogP of -0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea is sourced from PubChem (CID 6399292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).