1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene

C14H14S2 — CID 143570117

IUPAC1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
SMILESCSCc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H14S2/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLKRWZVFSARVKDO-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.70
Rot. Bonds4

About 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene

1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene (PubChem CID 143570117) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
PubChem CID143570117
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
SMILESCSCc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H14S2/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLKRWZVFSARVKDO-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;methylsulfanylmethylbenzene
CID 161395103
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
carbon monoxide;chromium;methylsulfanylmethylbenzene
CID 11000241
1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
phenyl-bis(4-phenylsulfanylphenyl)sulfanium
CID 21049843
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
2-methylbutane;methylsulfanylmethylbenzene
CID 143884311
1-(2-bromoethyl)-4-phenylsulfanylbenzene
CID 174361332
CID 66690055
CID 66690055
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
ethanethiol;phenylsulfanylbenzene
CID 174826904
[4-(4-ethylphenyl)sulfanylphenyl]-[4-(4-methylphenyl)sulfanylphenyl]-phenylsulfanium
CID 143787310

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene?
The IUPAC name of 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene (CID 143570117) is 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene.
What is the SMILES notation for 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene?
The canonical SMILES for 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene is CSCc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene?
The InChIKey is LKRWZVFSARVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene?
1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene has a molecular weight of 246.40 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene is sourced from PubChem (CID 143570117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).