8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one

C14H15NOS — CID 163941307

IUPAC8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one
SMILESCc1ccc(N)c2c(=O)c3c(sc12)CCCC3
InChIInChI=1S/C14H15NOS/c1-8-6-7-10(15)12-13(16)9-4-2-3-5-11(9)17-14(8)12/h6-7H,2-5,15H2,1H3
InChIKeyRRFBMKZRCDSKNY-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.03
Rot. Bonds

About 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one

8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one (PubChem CID 163941307) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one.

Molecular Properties

Compound Name8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one
PubChem CID163941307
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one
SMILESCc1ccc(N)c2c(=O)c3c(sc12)CCCC3
InChIInChI=1S/C14H15NOS/c1-8-6-7-10(15)12-13(16)9-4-2-3-5-11(9)17-14(8)12/h6-7H,2-5,15H2,1H3
InChIKeyRRFBMKZRCDSKNY-UHFFFAOYSA-N
XLogP3.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,8-dimethylnaphthalene-1,5-diamine;ethane
CID 143882753
1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
CID 53402832
5-amino-3,4-dihydrothiochromen-2-one
CID 154160776
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303
3-(2,5-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2346388
2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
3-(2-aminophenyl)-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 46237745
2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 978210
2,3-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzodithiine-5,10-dione
CID 167045845
N'-hydroxy-12-oxo-6,7,8,9,10,11-hexahydrocycloocta[b]thiochromene-3-carboximidamide
CID 87888270
2-[(Z)-1-(4-methylphenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 5410183

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one?
The IUPAC name of 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one (CID 163941307) is 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one.
What is the SMILES notation for 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one?
The canonical SMILES for 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one is Cc1ccc(N)c2c(=O)c3c(sc12)CCCC3.
What is the InChIKey of 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one?
The InChIKey is RRFBMKZRCDSKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-8-6-7-10(15)12-13(16)9-4-2-3-5-11(9)17-14(8)12/h6-7H,2-5,15H2,1H3.
What are the key properties of 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one?
8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one has a molecular weight of 245.35 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-methyl-1,2,3,4-tetrahydrothioxanthen-9-one is sourced from PubChem (CID 163941307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).