2-[(4-methylphenyl)methylsulfanylmethyl]thiophene

C13H14S2 — CID 5159898

IUPAC2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
SMILESCc1ccc(CSCc2cccs2)cc1
InChIInChI=1S/C13H14S2/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h2-8H,9-10H2,1H3
InChIKeyUEHVDESKGIDMET-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.49
Rot. Bonds4

About 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene

2-[(4-methylphenyl)methylsulfanylmethyl]thiophene (PubChem CID 5159898) has the molecular formula C13H14S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
PubChem CID5159898
Molecular FormulaC13H14S2
Molecular Weight234.39 g/mol
Exact Mass234.05
IUPAC Name2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
SMILESCc1ccc(CSCc2cccs2)cc1
InChIInChI=1S/C13H14S2/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h2-8H,9-10H2,1H3
InChIKeyUEHVDESKGIDMET-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
CID 5060586
5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3659648
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
2-(methylsulfanylmethyl)thiophene
CID 12872111
2-(thiophen-2-ylmethylsulfanyl)ethylazanium
CID 7129022
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene
CID 134212555

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene (CID 5159898) is 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene is Cc1ccc(CSCc2cccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene?
The InChIKey is UEHVDESKGIDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S2/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene?
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene has a molecular weight of 234.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanylmethyl]thiophene is sourced from PubChem (CID 5159898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).