1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea

C12H24N6S2 — CID 2725287

IUPAC1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
SMILESCC(C)(C)NC(=S)NN=CC=NNC(=S)NC(C)(C)C
InChIInChI=1S/C12H24N6S2/c1-11(2,3)15-9(19)17-13-7-8-14-18-10(20)16-12(4,5)6/h7-8H,1-6H3,(H2,15,17,19)(H2,16,18,20)
InChIKeyCUKVJPQNPOQDQY-UHFFFAOYSA-N
MW316.50 g/mol
LogP1.48
Rot. Bonds3

About 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea

1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea (PubChem CID 2725287) has the molecular formula C12H24N6S2 and a molecular weight of 316.50 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
PubChem CID2725287
Molecular FormulaC12H24N6S2
Molecular Weight316.50 g/mol
Exact Mass316.15
IUPAC Name1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
SMILESCC(C)(C)NC(=S)NN=CC=NNC(=S)NC(C)(C)C
InChIInChI=1S/C12H24N6S2/c1-11(2,3)15-9(19)17-13-7-8-14-18-10(20)16-12(4,5)6/h7-8H,1-6H3,(H2,15,17,19)(H2,16,18,20)
InChIKeyCUKVJPQNPOQDQY-UHFFFAOYSA-N
XLogP1.48
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 51.48
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'}

Analyze 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 6182895
1-tert-butyl-3-[(4-hydroxyphenyl)methylideneamino]thiourea
CID 2725308
copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
CID 72672069
1-tert-butyl-3-[(E)-(3,4-difluorophenyl)methylideneamino]thiourea
CID 131990815
1-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]-3-tert-butylthiourea
CID 2798126
1-[(4-bromo-1H-pyrazol-5-yl)methylideneamino]-3-tert-butylthiourea
CID 4131210
1-tert-butyl-3-[(2-propoxyphenyl)methylideneamino]thiourea
CID 2725353
1-tert-butyl-3-[(E)-[(2E)-2-(tert-butylcarbamothioylhydrazinylidene)pentan-3-ylidene]amino]thiourea
CID 14325235
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 24951716
1-methyl-3-[(Z)-2-oxoethylideneamino]thiourea
CID 102431292
1-tert-butyl-3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]thiourea
CID 9235646
1-(but-2-enylideneamino)-3-methylthiourea
CID 3644259

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
The IUPAC name of 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea (CID 2725287) is 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea.
What is the SMILES notation for 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
The canonical SMILES for 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea is CC(C)(C)NC(=S)NN=CC=NNC(=S)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
The InChIKey is CUKVJPQNPOQDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6S2/c1-11(2,3)15-9(19)17-13-7-8-14-18-10(20)16-12(4,5)6/h7-8H,1-6H3,(H2,15,17,19)(H2,16,18,20).
What are the key properties of 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea has a molecular weight of 316.50 g/mol, XLogP of 1.48, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea is sourced from PubChem (CID 2725287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).