[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea

C7H14N6S2 — CID 23266274

IUPAC[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea
SMILESCCCC(/C=N/NC(N)=S)=N\NC(N)=S
InChIInChI=1S/C7H14N6S2/c1-2-3-5(11-13-7(9)15)4-10-12-6(8)14/h4H,2-3H2,1H3,(H3,8,12,14)(H3,9,13,15)/b10-4+,11-5+
InChIKeyJRQHIXBBLQIUPS-ZVSIBQGLSA-N
MW246.36 g/mol
LogP-0.21
Rot. Bonds5

About [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea

[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea (PubChem CID 23266274) has the molecular formula C7H14N6S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea.

Molecular Properties

Compound Name[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea
PubChem CID23266274
Molecular FormulaC7H14N6S2
Molecular Weight246.36 g/mol
Exact Mass246.07
IUPAC Name[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea
SMILESCCCC(/C=N/NC(N)=S)=N\NC(N)=S
InChIInChI=1S/C7H14N6S2/c1-2-3-5(11-13-7(9)15)4-10-12-6(8)14/h4H,2-3H2,1H3,(H3,8,12,14)(H3,9,13,15)/b10-4+,11-5+
InChIKeyJRQHIXBBLQIUPS-ZVSIBQGLSA-N
XLogP-0.21
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 5-0.21
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 [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]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

[(E)-[(1Z,4S,5R)-1-(carbamothioylhydrazinylidene)-4,5,6-trihydroxyhexan-2-ylidene]amino]thiourea
CID 98540263
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea;propane
CID 172974668
[(Z)-[(Z)-2-ethylhex-2-enylidene]amino]thiourea
CID 92531930
copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate
CID 23275296
N'-(carbamothioylamino)carbamimidothioate;tetrapropylazanium
CID 139062015
1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
CID 10469805
[[(E)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]thiourea
CID 131859994
(1-chlorononan-4-ylideneamino)thiourea
CID 173180173
N-carbamothioylbutanethioamide
CID 175191210
(2,3,3-triethylpentylideneamino)thiourea
CID 121266890
[(3,5-dimethyl-4-propoxyphenyl)methylideneamino]thiourea
CID 168535461
[(Z)-1,1-diethoxypropan-2-ylideneamino]thiourea
CID 6305857

Frequently Asked Questions

What is the IUPAC name of [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea?
The IUPAC name of [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea (CID 23266274) is [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea.
What is the SMILES notation for [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea?
The canonical SMILES for [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea is CCCC(/C=N/NC(N)=S)=N\NC(N)=S.
What is the InChIKey of [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea?
The InChIKey is JRQHIXBBLQIUPS-ZVSIBQGLSA-N. The full InChI is InChI=1S/C7H14N6S2/c1-2-3-5(11-13-7(9)15)4-10-12-6(8)14/h4H,2-3H2,1H3,(H3,8,12,14)(H3,9,13,15)/b10-4+,11-5+.
What are the key properties of [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea?
[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea has a molecular weight of 246.36 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea is sourced from PubChem (CID 23266274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).