2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene

C12H10Cl2S2 — CID 5060586

IUPAC2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
SMILESClc1ccc(CSCc2cccs2)cc1Cl
InChIInChI=1S/C12H10Cl2S2/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h1-6H,7-8H2
InChIKeyBYGMJPWUSZPWJQ-UHFFFAOYSA-N
MW289.25 g/mol
LogP5.49
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene

2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene (PubChem CID 5060586) has the molecular formula C12H10Cl2S2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
PubChem CID5060586
Molecular FormulaC12H10Cl2S2
Molecular Weight289.25 g/mol
Exact Mass287.96
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
SMILESClc1ccc(CSCc2cccs2)cc1Cl
InChIInChI=1S/C12H10Cl2S2/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h1-6H,7-8H2
InChIKeyBYGMJPWUSZPWJQ-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.25
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene 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

2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
1-(3,4-dichlorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62621958
4-[(3,4-dichlorophenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one
CID 16874721
N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 40833756
1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]benzonitrile
CID 94804911
2-(thiophen-2-ylmethylsulfanyl)ethylazanium
CID 7129022
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
4-[(4-chlorophenyl)methylsulfanylmethyl]-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 46083426
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine
CID 5054141
3-[(3,4-dichlorophenyl)methylsulfanyl]propanenitrile
CID 82181449

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene (CID 5060586) is 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene is Clc1ccc(CSCc2cccs2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene?
The InChIKey is BYGMJPWUSZPWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2S2/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h1-6H,7-8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene?
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene has a molecular weight of 289.25 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene is sourced from PubChem (CID 5060586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).