1-amino-2-sulfanylanthracene-9,10-dione

C14H9NO2S — CID 2749871

IUPAC1-amino-2-sulfanylanthracene-9,10-dione
SMILESNc1c(S)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2S/c15-12-10(18)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,18H,15H2
InChIKeyINMWCLDUDNFUNQ-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.33
Rot. Bonds

About 1-amino-2-sulfanylanthracene-9,10-dione

1-amino-2-sulfanylanthracene-9,10-dione (PubChem CID 2749871) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-amino-2-sulfanylanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2-sulfanylanthracene-9,10-dione
PubChem CID2749871
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name1-amino-2-sulfanylanthracene-9,10-dione
SMILESNc1c(S)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2S/c15-12-10(18)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,18H,15H2
InChIKeyINMWCLDUDNFUNQ-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(benzenesulfonyl)anthracene-9,10-dione
CID 13331518
1-amino-2-(triazin-4-yl)anthracene-9,10-dione
CID 70578280
1-aminoanthracene-9,10-dione;molecular nitrogen
CID 67788391
1,2,5,6-tetraaminoanthracene-9,10-dione
CID 59253850
1-amino-2-(4-nitrophenyl)anthracene-9,10-dione
CID 174815967
1-amino-2-(phenyliminomethyl)anthracene-9,10-dione
CID 2847378
2,3-diamino-1,4-dihydroxyanthracene-9,10-dione
CID 15840020
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
CID 158261979
CID 158261979
1-aminoanthracene-9,10-dione;dichloromethane
CID 160969534
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 67824005
CID 67824005

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-sulfanylanthracene-9,10-dione?
The IUPAC name of 1-amino-2-sulfanylanthracene-9,10-dione (CID 2749871) is 1-amino-2-sulfanylanthracene-9,10-dione.
What is the SMILES notation for 1-amino-2-sulfanylanthracene-9,10-dione?
The canonical SMILES for 1-amino-2-sulfanylanthracene-9,10-dione is Nc1c(S)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-2-sulfanylanthracene-9,10-dione?
The InChIKey is INMWCLDUDNFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c15-12-10(18)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,18H,15H2.
What are the key properties of 1-amino-2-sulfanylanthracene-9,10-dione?
1-amino-2-sulfanylanthracene-9,10-dione has a molecular weight of 255.30 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-sulfanylanthracene-9,10-dione is sourced from PubChem (CID 2749871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).