1,4-bis(methylsulfanyl)benzene;methanol

C9H14OS2 — CID 143321779

IUPAC1,4-bis(methylsulfanyl)benzene;methanol
SMILESCO.CSc1ccc(SC)cc1
InChIInChI=1S/C8H10S2.CH4O/c1-9-7-3-5-8(10-2)6-4-7;1-2/h3-6H,1-2H3;2H,1H3
InChIKeyASPHPUCOEPECHK-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.74
Rot. Bonds2

About 1,4-bis(methylsulfanyl)benzene;methanol

1,4-bis(methylsulfanyl)benzene;methanol (PubChem CID 143321779) has the molecular formula C9H14OS2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,4-bis(methylsulfanyl)benzene;methanol.

Molecular Properties

Compound Name1,4-bis(methylsulfanyl)benzene;methanol
PubChem CID143321779
Molecular FormulaC9H14OS2
Molecular Weight202.34 g/mol
Exact Mass202.05
IUPAC Name1,4-bis(methylsulfanyl)benzene;methanol
SMILESCO.CSc1ccc(SC)cc1
InChIInChI=1S/C8H10S2.CH4O/c1-9-7-3-5-8(10-2)6-4-7;1-2/h3-6H,1-2H3;2H,1H3
InChIKeyASPHPUCOEPECHK-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
sodium;hydride;4-methylsulfanylphenol
CID 174371659
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
1-methylsulfanyl-4-(trideuteriomethylsulfanyl)benzene
CID 10797313
dichlorozirconium;bis(4-methylsulfanylphenol)
CID 174464956
4-methylsulfanylphenol;propan-2-one
CID 158861841
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methylsulfanyl)benzene;methanol?
The IUPAC name of 1,4-bis(methylsulfanyl)benzene;methanol (CID 143321779) is 1,4-bis(methylsulfanyl)benzene;methanol.
What is the SMILES notation for 1,4-bis(methylsulfanyl)benzene;methanol?
The canonical SMILES for 1,4-bis(methylsulfanyl)benzene;methanol is CO.CSc1ccc(SC)cc1.
What is the InChIKey of 1,4-bis(methylsulfanyl)benzene;methanol?
The InChIKey is ASPHPUCOEPECHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2.CH4O/c1-9-7-3-5-8(10-2)6-4-7;1-2/h3-6H,1-2H3;2H,1H3.
What are the key properties of 1,4-bis(methylsulfanyl)benzene;methanol?
1,4-bis(methylsulfanyl)benzene;methanol has a molecular weight of 202.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methylsulfanyl)benzene;methanol is sourced from PubChem (CID 143321779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).