[(Z)-anthracen-9-ylmethylideneamino]thiourea

C16H13N3S — CID 5390233

IUPAC[(Z)-anthracen-9-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H13N3S/c17-16(20)19-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H3,17,19,20)/b18-10-
InChIKeyWYLUUWBULMMVJF-ZDLGFXPLSA-N
MW279.37 g/mol
LogP3.16
Rot. Bonds2

About [(Z)-anthracen-9-ylmethylideneamino]thiourea

[(Z)-anthracen-9-ylmethylideneamino]thiourea (PubChem CID 5390233) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is [(Z)-anthracen-9-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-anthracen-9-ylmethylideneamino]thiourea
PubChem CID5390233
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name[(Z)-anthracen-9-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H13N3S/c17-16(20)19-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H3,17,19,20)/b18-10-
InChIKeyWYLUUWBULMMVJF-ZDLGFXPLSA-N
XLogP3.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(Z)-anthracen-9-ylmethylideneamino]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

2-Naphthaldehyde thiosemicarbazone
CID 5331443
1-methyl-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 7575218
1-Naphthaldehyde N-ethylthiosemicarbazone
CID 5349904
(E)-2-(Pyren-1-ylmethylene)hydrazine-1-carbothioamide (2)
CID 126842657
2-(Phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
CID 44531578
2-(Phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
CID 44531837
2-(Phenanthren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531853
[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea
CID 54769187
1,1-dimethyl-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57400675
[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]thiourea
CID 134137125
[((1E)-2-(9-anthryl)-1-azavinyl)amino]aminomethane-1-thione
CID 5365423
1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea
CID 10108445

Frequently Asked Questions

What is the IUPAC name of [(Z)-anthracen-9-ylmethylideneamino]thiourea?
The IUPAC name of [(Z)-anthracen-9-ylmethylideneamino]thiourea (CID 5390233) is [(Z)-anthracen-9-ylmethylideneamino]thiourea.
What is the SMILES notation for [(Z)-anthracen-9-ylmethylideneamino]thiourea?
The canonical SMILES for [(Z)-anthracen-9-ylmethylideneamino]thiourea is NC(=S)N/N=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of [(Z)-anthracen-9-ylmethylideneamino]thiourea?
The InChIKey is WYLUUWBULMMVJF-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13N3S/c17-16(20)19-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H3,17,19,20)/b18-10-.
What are the key properties of [(Z)-anthracen-9-ylmethylideneamino]thiourea?
[(Z)-anthracen-9-ylmethylideneamino]thiourea has a molecular weight of 279.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-anthracen-9-ylmethylideneamino]thiourea is sourced from PubChem (CID 5390233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).