1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene

C14H14OS2 — CID 132916371

IUPAC1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2SC)cc1
InChIInChI=1S/C14H14OS2/c1-15-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)16-2/h3-10H,1-2H3
InChIKeyYJSAZXTZKYZQDN-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.57
Rot. Bonds4

About 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene

1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene (PubChem CID 132916371) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
PubChem CID132916371
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2SC)cc1
InChIInChI=1S/C14H14OS2/c1-15-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)16-2/h3-10H,1-2H3
InChIKeyYJSAZXTZKYZQDN-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63804403
1-methoxy-4-[2-(3-methylbut-3-enyl)phenyl]sulfanylbenzene
CID 71387554
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
[4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylphenyl]-phenylmethanone
CID 174960866
N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
CID 115995781
1-[bromo-(4-methoxyphenyl)methyl]-2-methylsulfanylbenzene
CID 79217010
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812
5,8-bis[(4-methoxyphenyl)sulfanyl]phthalazine
CID 71186149
2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
CID 59509334
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene?
The IUPAC name of 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene (CID 132916371) is 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene is COc1ccc(Sc2ccccc2SC)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene?
The InChIKey is YJSAZXTZKYZQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c1-15-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)16-2/h3-10H,1-2H3.
What are the key properties of 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene?
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene has a molecular weight of 262.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene is sourced from PubChem (CID 132916371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).