methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene

C24H34S2 — CID 159307359

IUPACmethane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene
SMILESC.C.C.CSC(c1ccccc1)c1ccccc1.CSc1ccccc1
InChIInChI=1S/C14H14S.C7H8S.3CH4/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-5-3-2-4-6-7;;;/h2-11,14H,1H3;2-6H,1H3;3*1H4
InChIKeyLCBXAXJYYZPMEQ-UHFFFAOYSA-N
MW386.67 g/mol
LogP8.46
Rot. Bonds4

About methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene

methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene (PubChem CID 159307359) has the molecular formula C24H34S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene.

Molecular Properties

Compound Namemethane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene
PubChem CID159307359
Molecular FormulaC24H34S2
Molecular Weight386.67 g/mol
Exact Mass386.21
IUPAC Namemethane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene
SMILESC.C.C.CSC(c1ccccc1)c1ccccc1.CSc1ccccc1
InChIInChI=1S/C14H14S.C7H8S.3CH4/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-5-3-2-4-6-7;;;/h2-11,14H,1H3;2-6H,1H3;3*1H4
InChIKeyLCBXAXJYYZPMEQ-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydrogen peroxide;methylsulfanylbenzene
CID 87661079
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513
trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane
CID 168720141
N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
CID 15533676
benzenethiol;ethane;methylsulfanylbenzene
CID 145032144
1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
CID 134849362
1-methyl-4-methylsulfanylbenzene;methylsulfanylbenzene;2-methylsulfanylnaphthalene
CID 158033725
2-bromo-1-(4-methylsulfanylphenyl)-2-phenylethanone
CID 11336208
1-methylsulfanyl-4-phenylsulfanylbenzene;4-phenylsulfanylbenzenethiol
CID 67629763
1-methylsulfanylbut-2-enylbenzene
CID 146497381
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198

Frequently Asked Questions

What is the IUPAC name of methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene?
The IUPAC name of methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene (CID 159307359) is methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene.
What is the SMILES notation for methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene?
The canonical SMILES for methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene is C.C.C.CSC(c1ccccc1)c1ccccc1.CSc1ccccc1.
What is the InChIKey of methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene?
The InChIKey is LCBXAXJYYZPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S.C7H8S.3CH4/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-5-3-2-4-6-7;;;/h2-11,14H,1H3;2-6H,1H3;3*1H4.
What are the key properties of methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene?
methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene has a molecular weight of 386.67 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene is sourced from PubChem (CID 159307359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).