2-amino-1-methylthioxanthen-9-one

C14H11NOS — CID 10444372

IUPAC2-amino-1-methylthioxanthen-9-one
SMILESCc1c(N)ccc2sc3ccccc3c(=O)c12
InChIInChI=1S/C14H11NOS/c1-8-10(15)6-7-12-13(8)14(16)9-4-2-3-5-11(9)17-12/h2-7H,15H2,1H3
InChIKeyIXRUMMNKCHQPFP-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.31
Rot. Bonds

About 2-amino-1-methylthioxanthen-9-one

2-amino-1-methylthioxanthen-9-one (PubChem CID 10444372) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-amino-1-methylthioxanthen-9-one.

Molecular Properties

Compound Name2-amino-1-methylthioxanthen-9-one
PubChem CID10444372
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name2-amino-1-methylthioxanthen-9-one
SMILESCc1c(N)ccc2sc3ccccc3c(=O)c12
InChIInChI=1S/C14H11NOS/c1-8-10(15)6-7-12-13(8)14(16)9-4-2-3-5-11(9)17-12/h2-7H,15H2,1H3
InChIKeyIXRUMMNKCHQPFP-UHFFFAOYSA-N
XLogP3.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2-dibromothioxanthen-9-one
CID 154349910
1,3,4-trichloro-2-methylthioxanthen-9-one
CID 151134507
1,3-dimethoxy-2-methylthioxanthen-9-one
CID 175537733
aniline;thioxanthen-9-one
CID 157172339
9-oxothioxanthene-1,2-dicarboxamide
CID 174776414
1-chloro-2-hydroxythioxanthen-9-one
CID 54045357
1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one
CID 175242327
1-(9-oxothioxanthen-1-yl)sulfinylthioxanthen-9-one
CID 69121433
1-nitrodibenzothiophen-2-amine
CID 121008332
3-hydroxy-1-methylthioxanthen-9-one
CID 56688041
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
4-aminothioxanthen-9-one
CID 14929523

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylthioxanthen-9-one?
The IUPAC name of 2-amino-1-methylthioxanthen-9-one (CID 10444372) is 2-amino-1-methylthioxanthen-9-one.
What is the SMILES notation for 2-amino-1-methylthioxanthen-9-one?
The canonical SMILES for 2-amino-1-methylthioxanthen-9-one is Cc1c(N)ccc2sc3ccccc3c(=O)c12.
What is the InChIKey of 2-amino-1-methylthioxanthen-9-one?
The InChIKey is IXRUMMNKCHQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-8-10(15)6-7-12-13(8)14(16)9-4-2-3-5-11(9)17-12/h2-7H,15H2,1H3.
What are the key properties of 2-amino-1-methylthioxanthen-9-one?
2-amino-1-methylthioxanthen-9-one has a molecular weight of 241.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylthioxanthen-9-one is sourced from PubChem (CID 10444372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).