(9,10-dioxoanthracen-1-yl)thiourea

C15H10N2O2S — CID 82030669

IUPAC(9,10-dioxoanthracen-1-yl)thiourea
SMILESNC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10N2O2S/c16-15(20)17-11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-7H,(H3,16,17,20)
InChIKeyVOJWCDRMQULURT-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.12
Rot. Bonds1

About (9,10-dioxoanthracen-1-yl)thiourea

(9,10-dioxoanthracen-1-yl)thiourea (PubChem CID 82030669) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is (9,10-dioxoanthracen-1-yl)thiourea.

Molecular Properties

Compound Name(9,10-dioxoanthracen-1-yl)thiourea
PubChem CID82030669
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name(9,10-dioxoanthracen-1-yl)thiourea
SMILESNC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10N2O2S/c16-15(20)17-11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-7H,(H3,16,17,20)
InChIKeyVOJWCDRMQULURT-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
1-(1-aminoethylamino)anthracene-9,10-dione
CID 150877100
methyl 2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]-3-methylbutanoate
CID 4839814
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
CID 13439298
4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide
CID 70539193
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732

Frequently Asked Questions

What is the IUPAC name of (9,10-dioxoanthracen-1-yl)thiourea?
The IUPAC name of (9,10-dioxoanthracen-1-yl)thiourea (CID 82030669) is (9,10-dioxoanthracen-1-yl)thiourea.
What is the SMILES notation for (9,10-dioxoanthracen-1-yl)thiourea?
The canonical SMILES for (9,10-dioxoanthracen-1-yl)thiourea is NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of (9,10-dioxoanthracen-1-yl)thiourea?
The InChIKey is VOJWCDRMQULURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c16-15(20)17-11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-7H,(H3,16,17,20).
What are the key properties of (9,10-dioxoanthracen-1-yl)thiourea?
(9,10-dioxoanthracen-1-yl)thiourea has a molecular weight of 282.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9,10-dioxoanthracen-1-yl)thiourea is sourced from PubChem (CID 82030669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).