[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea

C19H22AsN3OS — CID 173316009

IUPAC[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea
SMILESCCC([AsH]C(=O)Cc1ccccc1)/C(=N\NC(N)=S)c1ccccc1
InChIInChI=1S/C19H22AsN3OS/c1-2-16(20-17(24)13-14-9-5-3-6-10-14)18(22-23-19(21)25)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3,(H3,21,23,25)/b22-18-
InChIKeyUBZGJOFVPOCSTA-PYCFMQQDSA-N
MW415.39 g/mol
LogP2.63
Rot. Bonds8

About [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea

[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea (PubChem CID 173316009) has the molecular formula C19H22AsN3OS and a molecular weight of 415.39 g/mol. Its IUPAC name is [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea
PubChem CID173316009
Molecular FormulaC19H22AsN3OS
Molecular Weight415.39 g/mol
Exact Mass415.07
IUPAC Name[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea
SMILESCCC([AsH]C(=O)Cc1ccccc1)/C(=N\NC(N)=S)c1ccccc1
InChIInChI=1S/C19H22AsN3OS/c1-2-16(20-17(24)13-14-9-5-3-6-10-14)18(22-23-19(21)25)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3,(H3,21,23,25)/b22-18-
InChIKeyUBZGJOFVPOCSTA-PYCFMQQDSA-N
XLogP2.63
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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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Related Compounds

[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
CID 18795136
tert-butyl N-[1-(carbamothioylhydrazinylidene)-1-phenylbutan-2-yl]carbamate
CID 174487611
N-[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-methylpropanamide
CID 54332763
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
[[(4-benzoylphenyl)-phenylmethylidene]amino]thiourea
CID 78165247
[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
CID 5359914
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
(1-phenylethylideneamino)thiourea
CID 912962
[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-propan-2-ylcarbamic acid
CID 56997097
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea?
The IUPAC name of [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea (CID 173316009) is [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea?
The canonical SMILES for [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea is CCC([AsH]C(=O)Cc1ccccc1)/C(=N\NC(N)=S)c1ccccc1.
What is the InChIKey of [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea?
The InChIKey is UBZGJOFVPOCSTA-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H22AsN3OS/c1-2-16(20-17(24)13-14-9-5-3-6-10-14)18(22-23-19(21)25)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3,(H3,21,23,25)/b22-18-.
What are the key properties of [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea?
[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea has a molecular weight of 415.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea is sourced from PubChem (CID 173316009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).