[[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea

C10H12N6S2 — CID 6796949

IUPAC[[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea
SMILESNC(=S)NN=CC(=NNC(N)=S)c1ccccc1
InChIInChI=1S/C10H12N6S2/c11-9(17)15-13-6-8(14-16-10(12)18)7-4-2-1-3-5-7/h1-6H,(H3,11,15,17)(H3,12,16,18)
InChIKeyFDJYNUIZZJYGDN-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.04
Rot. Bonds4

About [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea

[[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea (PubChem CID 6796949) has the molecular formula C10H12N6S2 and a molecular weight of 280.38 g/mol. Its IUPAC name is [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea.

Molecular Properties

Compound Name[[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea
PubChem CID6796949
Molecular FormulaC10H12N6S2
Molecular Weight280.38 g/mol
Exact Mass280.06
IUPAC Name[[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea
SMILESNC(=S)NN=CC(=NNC(N)=S)c1ccccc1
InChIInChI=1S/C10H12N6S2/c11-9(17)15-13-6-8(14-16-10(12)18)7-4-2-1-3-5-7/h1-6H,(H3,11,15,17)(H3,12,16,18)
InChIKeyFDJYNUIZZJYGDN-UHFFFAOYSA-N
XLogP0.04
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.04
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 [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea?
The IUPAC name of [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea (CID 6796949) is [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea.
What is the SMILES notation for [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea?
The canonical SMILES for [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea is NC(=S)NN=CC(=NNC(N)=S)c1ccccc1.
What is the InChIKey of [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea?
The InChIKey is FDJYNUIZZJYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S2/c11-9(17)15-13-6-8(14-16-10(12)18)7-4-2-1-3-5-7/h1-6H,(H3,11,15,17)(H3,12,16,18).
What are the key properties of [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea?
[[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea has a molecular weight of 280.38 g/mol, XLogP of 0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(carbamothioylhydrazinylidene)-1-phenylethylidene]amino]thiourea is sourced from PubChem (CID 6796949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).