15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

C16H10OS — CID 141177162

IUPAC15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESCc1sc2cccc3c2c1-c1ccccc1C3=O
InChIInChI=1S/C16H10OS/c1-9-14-10-5-2-3-6-11(10)16(17)12-7-4-8-13(18-9)15(12)14/h2-8H,1H3
InChIKeyADPZSOYTDODSJD-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.42
Rot. Bonds

About 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (PubChem CID 141177162) has the molecular formula C16H10OS and a molecular weight of 250.32 g/mol. Its IUPAC name is 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
PubChem CID141177162
Molecular FormulaC16H10OS
Molecular Weight250.32 g/mol
Exact Mass250.05
IUPAC Name15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESCc1sc2cccc3c2c1-c1ccccc1C3=O
InChIInChI=1S/C16H10OS/c1-9-14-10-5-2-3-6-11(10)16(17)12-7-4-8-13(18-9)15(12)14/h2-8H,1H3
InChIKeyADPZSOYTDODSJD-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
2,3-dimethyl-5,6-bis(2-methyl-1-benzothiophen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 11144430
benzo[a]phenalen-7-one;ethane
CID 90765972
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
anthracene-9,10-dione;propane
CID 162068050
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
1-phenylbenzo[b]phenalen-7-one
CID 12547034

Frequently Asked Questions

What is the IUPAC name of 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The IUPAC name of 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (CID 141177162) is 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The canonical SMILES for 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is Cc1sc2cccc3c2c1-c1ccccc1C3=O.
What is the InChIKey of 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The InChIKey is ADPZSOYTDODSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS/c1-9-14-10-5-2-3-6-11(10)16(17)12-7-4-8-13(18-9)15(12)14/h2-8H,1H3.
What are the key properties of 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one has a molecular weight of 250.32 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-14-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 141177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).