1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene

C17H20S5 — CID 155282651

IUPAC1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene
SMILESCSc1cccc(CSc2cccc(SC)c2SC)c1SC
InChIInChI=1S/C17H20S5/c1-18-13-8-5-7-12(16(13)20-3)11-22-15-10-6-9-14(19-2)17(15)21-4/h5-10H,11H2,1-4H3
InChIKeySOWHGYYMQGUTTQ-UHFFFAOYSA-N
MW384.68 g/mol
LogP6.87
Rot. Bonds7

About 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene

1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene (PubChem CID 155282651) has the molecular formula C17H20S5 and a molecular weight of 384.68 g/mol. Its IUPAC name is 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene.

Molecular Properties

Compound Name1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene
PubChem CID155282651
Molecular FormulaC17H20S5
Molecular Weight384.68 g/mol
Exact Mass384.02
IUPAC Name1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene
SMILESCSc1cccc(CSc2cccc(SC)c2SC)c1SC
InChIInChI=1S/C17H20S5/c1-18-13-8-5-7-12(16(13)20-3)11-22-15-10-6-9-14(19-2)17(15)21-4/h5-10H,11H2,1-4H3
InChIKeySOWHGYYMQGUTTQ-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene 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-[2,3-bis(methylsulfanyl)phenyl]propan-2-ol
CID 117329270
1-[2,3-bis(methylsulfanyl)phenyl]propan-2-one
CID 117325853
3-[2,3-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394679
2-[2,3-bis(methylsulfanyl)phenyl]-N-methylethanamine
CID 117327527
[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
CID 103288923
[5-[(2-methylsulfanylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 110027206
ethane;1-(2-methylpropyl)-2-methylsulfanylbenzene
CID 177025711
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
3-(3-hydroxy-2-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117325703
1-methylsulfanyl-2-prop-2-ynylbenzene
CID 19849500
2-[2,3-bis(methylsulfanyl)phenyl]-2-hydroxyacetic acid
CID 117362892
1-(ethoxymethyl)-2-methylsulfanylbenzene
CID 91470135

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene?
The IUPAC name of 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene (CID 155282651) is 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene.
What is the SMILES notation for 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene?
The canonical SMILES for 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene is CSc1cccc(CSc2cccc(SC)c2SC)c1SC.
What is the InChIKey of 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene?
The InChIKey is SOWHGYYMQGUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20S5/c1-18-13-8-5-7-12(16(13)20-3)11-22-15-10-6-9-14(19-2)17(15)21-4/h5-10H,11H2,1-4H3.
What are the key properties of 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene?
1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene has a molecular weight of 384.68 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-bis(methylsulfanyl)phenyl]methylsulfanyl]-2,3-bis(methylsulfanyl)benzene is sourced from PubChem (CID 155282651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).