1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene

C14H22S2 — CID 139383873

IUPAC1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene
SMILESCCSCc1cccc(CSCC(C)C)c1
InChIInChI=1S/C14H22S2/c1-4-15-10-13-6-5-7-14(8-13)11-16-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyMOFIDDKZHYSVJB-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.83
Rot. Bonds7

About 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene

1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene (PubChem CID 139383873) has the molecular formula C14H22S2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene
PubChem CID139383873
Molecular FormulaC14H22S2
Molecular Weight254.46 g/mol
Exact Mass254.12
IUPAC Name1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene
SMILESCCSCc1cccc(CSCC(C)C)c1
InChIInChI=1S/C14H22S2/c1-4-15-10-13-6-5-7-14(8-13)11-16-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyMOFIDDKZHYSVJB-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)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-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene
CID 126713363
1-bromo-3-(ethylsulfanylmethyl)benzene
CID 60643993
N'-hydroxy-3-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125833
ethane;2-(2-methylpropylsulfanylmethyl)-6-(propylsulfanylmethyl)naphthalene
CID 166117760
4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
CID 83961206
2-bromo-1-methoxy-4-(2-methylpropylsulfanylmethyl)benzene
CID 55027647
1,3-bis(octadecylsulfanylmethyl)benzene
CID 170908895
3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
[3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530073
1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene
CID 134511569
ethane;1-(methylsulfanylmethyl)-3-(propylsulfanylmethyl)benzene
CID 145328307
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene?
The IUPAC name of 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene (CID 139383873) is 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene.
What is the SMILES notation for 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene?
The canonical SMILES for 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene is CCSCc1cccc(CSCC(C)C)c1.
What is the InChIKey of 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene?
The InChIKey is MOFIDDKZHYSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S2/c1-4-15-10-13-6-5-7-14(8-13)11-16-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene?
1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene has a molecular weight of 254.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene is sourced from PubChem (CID 139383873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).