2-amino-3,4-dihydrothioxanthen-9-one

C13H11NOS — CID 148687615

IUPAC2-amino-3,4-dihydrothioxanthen-9-one
SMILESNC1=Cc2c(sc3ccccc3c2=O)CC1
InChIInChI=1S/C13H11NOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-4,7H,5-6,14H2
InChIKeyNSUYWKQYUVDOKR-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.51
Rot. Bonds

About 2-amino-3,4-dihydrothioxanthen-9-one

2-amino-3,4-dihydrothioxanthen-9-one (PubChem CID 148687615) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-3,4-dihydrothioxanthen-9-one.

Molecular Properties

Compound Name2-amino-3,4-dihydrothioxanthen-9-one
PubChem CID148687615
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-amino-3,4-dihydrothioxanthen-9-one
SMILESNC1=Cc2c(sc3ccccc3c2=O)CC1
InChIInChI=1S/C13H11NOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-4,7H,5-6,14H2
InChIKeyNSUYWKQYUVDOKR-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrocyclopenta[b][1]benzothiol-1-one
CID 57349543
aniline;thioxanthen-9-one
CID 157172339
4-aminothioxanthen-9-one
CID 14929523
2-nitro-3,4-dihydrodibenzothiophene
CID 146764881
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
4-fluorothioxanthen-9-one
CID 54319807
3H-thioxanthene-2,9-dione
CID 23311637
2-amino-1-methylthioxanthen-9-one
CID 10444372
2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one
CID 13269343
3,4-dihydroxythioxanthen-9-one
CID 146302213
3,4-dimethylthioxanthen-9-one
CID 13113961
dibenzothiophene;formaldehyde
CID 20556925

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-dihydrothioxanthen-9-one?
The IUPAC name of 2-amino-3,4-dihydrothioxanthen-9-one (CID 148687615) is 2-amino-3,4-dihydrothioxanthen-9-one.
What is the SMILES notation for 2-amino-3,4-dihydrothioxanthen-9-one?
The canonical SMILES for 2-amino-3,4-dihydrothioxanthen-9-one is NC1=Cc2c(sc3ccccc3c2=O)CC1.
What is the InChIKey of 2-amino-3,4-dihydrothioxanthen-9-one?
The InChIKey is NSUYWKQYUVDOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-4,7H,5-6,14H2.
What are the key properties of 2-amino-3,4-dihydrothioxanthen-9-one?
2-amino-3,4-dihydrothioxanthen-9-one has a molecular weight of 229.30 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-dihydrothioxanthen-9-one is sourced from PubChem (CID 148687615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).