1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene

C10H14S2 — CID 134212555

IUPAC1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene
SMILESCSCSCc1ccc(C)cc1
InChIInChI=1S/C10H14S2/c1-9-3-5-10(6-4-9)7-12-8-11-2/h3-6H,7-8H2,1-2H3
InChIKeyJHJUIMFYMBYEMH-UHFFFAOYSA-N
MW198.36 g/mol
LogP3.55
Rot. Bonds4

About 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene

1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene (PubChem CID 134212555) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene
PubChem CID134212555
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene
SMILESCSCSCc1ccc(C)cc1
InChIInChI=1S/C10H14S2/c1-9-3-5-10(6-4-9)7-12-8-11-2/h3-6H,7-8H2,1-2H3
InChIKeyJHJUIMFYMBYEMH-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methylphenyl)methylsulfanylmethyl]aniline
CID 82177912
1-(3,3-dimethylbutylsulfanylmethyl)-4-methylbenzene
CID 130435874
1-methyl-4-[(4-methylphenyl)methylsulfanyloxysulfanylmethyl]benzene
CID 22407275
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
2-[(4-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070984
2-[(4-methylphenyl)methylsulfanylmethyl]butane-1,4-diol
CID 102585866
N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
methyl 3-[(4-methylphenyl)methylsulfanyl]propanoate
CID 17380371
5-methyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78848421
1-methyl-4-(methylperoxysulfanylmethyl)benzene
CID 88864660
4-[[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 82178483
ethyl 2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoate
CID 46769500

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene?
The IUPAC name of 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene (CID 134212555) is 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene.
What is the SMILES notation for 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene?
The canonical SMILES for 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene is CSCSCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene?
The InChIKey is JHJUIMFYMBYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S2/c1-9-3-5-10(6-4-9)7-12-8-11-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene?
1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene has a molecular weight of 198.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfanylmethylsulfanylmethyl)benzene is sourced from PubChem (CID 134212555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).