9-methylanthracene;2-methylthiophene

C20H18S — CID 143060558

IUPAC9-methylanthracene;2-methylthiophene
SMILESCc1c2ccccc2cc2ccccc12.Cc1cccs1
InChIInChI=1S/C15H12.C5H6S/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-5-3-2-4-6-5/h2-10H,1H3;2-4H,1H3
InChIKeyJWOWSSRWVFXXRS-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.36
Rot. Bonds

About 9-methylanthracene;2-methylthiophene

9-methylanthracene;2-methylthiophene (PubChem CID 143060558) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 9-methylanthracene;2-methylthiophene.

Molecular Properties

Compound Name9-methylanthracene;2-methylthiophene
PubChem CID143060558
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name9-methylanthracene;2-methylthiophene
SMILESCc1c2ccccc2cc2ccccc12.Cc1cccs1
InChIInChI=1S/C15H12.C5H6S/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-5-3-2-4-6-5/h2-10H,1H3;2-4H,1H3
InChIKeyJWOWSSRWVFXXRS-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-methylanthracene;2-methylthiophene 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

9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
2-methylthiophene
CID 143626612
2-methylthiophene;hydroiodide
CID 173425781
sodium;hydride;2-methylthiophene
CID 173118231
2-methylthiophene;toluene
CID 142082990
5,13-dimethylpentacene;ethane
CID 144696296
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
9-methylanthracene;2-methylnaphthalene
CID 159699144
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638

Frequently Asked Questions

What is the IUPAC name of 9-methylanthracene;2-methylthiophene?
The IUPAC name of 9-methylanthracene;2-methylthiophene (CID 143060558) is 9-methylanthracene;2-methylthiophene.
What is the SMILES notation for 9-methylanthracene;2-methylthiophene?
The canonical SMILES for 9-methylanthracene;2-methylthiophene is Cc1c2ccccc2cc2ccccc12.Cc1cccs1.
What is the InChIKey of 9-methylanthracene;2-methylthiophene?
The InChIKey is JWOWSSRWVFXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C5H6S/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-5-3-2-4-6-5/h2-10H,1H3;2-4H,1H3.
What are the key properties of 9-methylanthracene;2-methylthiophene?
9-methylanthracene;2-methylthiophene has a molecular weight of 290.43 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylanthracene;2-methylthiophene is sourced from PubChem (CID 143060558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).