[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea

C17H15N3S — CID 126008593

IUPAC[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea
SMILESCc1c2ccccc2c(/C=N\NC(N)=S)c2ccccc12
InChIInChI=1S/C17H15N3S/c1-11-12-6-2-4-8-14(12)16(10-19-20-17(18)21)15-9-5-3-7-13(11)15/h2-10H,1H3,(H3,18,20,21)/b19-10-
InChIKeyROSRNCDOZZFBGL-GRSHGNNSSA-N
MW293.40 g/mol
LogP3.47
Rot. Bonds2

About [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea

[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea (PubChem CID 126008593) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea
PubChem CID126008593
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea
SMILESCc1c2ccccc2c(/C=N\NC(N)=S)c2ccccc12
InChIInChI=1S/C17H15N3S/c1-11-12-6-2-4-8-14(12)16(10-19-20-17(18)21)15-9-5-3-7-13(11)15/h2-10H,1H3,(H3,18,20,21)/b19-10-
InChIKeyROSRNCDOZZFBGL-GRSHGNNSSA-N
XLogP3.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.47
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'}

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Related Compounds

(anthracen-9-ylmethylideneamino)thiourea
CID 668113
(acridin-9-ylmethylideneamino)thiourea
CID 71356820
[(E)-acridin-9-ylmethylideneamino]thiourea
CID 127261622
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
[(2-iodo-6-methylphenyl)methylideneamino]thiourea
CID 168536356
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
CID 168535833
[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 168536428
3-bromo-N-[(E)-(10-methylanthracen-9-yl)methylideneamino]benzamide
CID 126005055
[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 5375307
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
[(E)-[2-(4-chlorophenyl)-1-methylindol-3-yl]methylideneamino]thiourea
CID 15743041

Frequently Asked Questions

What is the IUPAC name of [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea (CID 126008593) is [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea is Cc1c2ccccc2c(/C=N\NC(N)=S)c2ccccc12.
What is the InChIKey of [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea?
The InChIKey is ROSRNCDOZZFBGL-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15N3S/c1-11-12-6-2-4-8-14(12)16(10-19-20-17(18)21)15-9-5-3-7-13(11)15/h2-10H,1H3,(H3,18,20,21)/b19-10-.
What are the key properties of [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea?
[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea has a molecular weight of 293.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea is sourced from PubChem (CID 126008593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).