2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one

C18H12OS2 — CID 16750743

IUPAC2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one
SMILESCc1sc2c(c1-c1ccccc1)c(=O)sc1ccccc12
InChIInChI=1S/C18H12OS2/c1-11-15(12-7-3-2-4-8-12)16-17(20-11)13-9-5-6-10-14(13)21-18(16)19/h2-10H,1H3
InChIKeyOAMBQJHSYMPNSB-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.45
Rot. Bonds1

About 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one

2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one (PubChem CID 16750743) has the molecular formula C18H12OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one.

Molecular Properties

Compound Name2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one
PubChem CID16750743
Molecular FormulaC18H12OS2
Molecular Weight308.43 g/mol
Exact Mass308.03
IUPAC Name2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one
SMILESCc1sc2c(c1-c1ccccc1)c(=O)sc1ccccc12
InChIInChI=1S/C18H12OS2/c1-11-15(12-7-3-2-4-8-12)16-17(20-11)13-9-5-6-10-14(13)21-18(16)19/h2-10H,1H3
InChIKeyOAMBQJHSYMPNSB-UHFFFAOYSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-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

1,1'-biphenyl;thioxanthen-9-one
CID 159774057
2,3-dimethyl-5,6-bis(2-methyl-1-benzothiophen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 11144430
5-bromo-6-phenylnaphtho[2,1-b][1]benzothiole
CID 11165166
N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
CID 169280735
10-(10-phenylanthracen-9-yl)-16-thiahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 153472047
5-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426117
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
3-phenyl-2-phenylsulfanyl-1-benzothiophene
CID 12687303
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
CID 169280526
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280394
2,2,2-trifluoro-1-(3-phenyl-1-benzothiophen-2-yl)ethanone
CID 132576562
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one?
The IUPAC name of 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one (CID 16750743) is 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one.
What is the SMILES notation for 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one?
The canonical SMILES for 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one is Cc1sc2c(c1-c1ccccc1)c(=O)sc1ccccc12.
What is the InChIKey of 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one?
The InChIKey is OAMBQJHSYMPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12OS2/c1-11-15(12-7-3-2-4-8-12)16-17(20-11)13-9-5-6-10-14(13)21-18(16)19/h2-10H,1H3.
What are the key properties of 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one?
2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one has a molecular weight of 308.43 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylthieno[3,2-c]thiochromen-4-one is sourced from PubChem (CID 16750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).