1-methoxy-4-methylsulfanylbenzene

C8H10OS — CID 15885

IUPAC1-methoxy-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1
InChIInChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKeyDQNSKXYRRRCKGH-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.42
Rot. Bonds2

About 1-methoxy-4-methylsulfanylbenzene

1-methoxy-4-methylsulfanylbenzene (PubChem CID 15885) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-methoxy-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-methylsulfanylbenzene
PubChem CID15885
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-methoxy-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1
InChIInChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKeyDQNSKXYRRRCKGH-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thioguaiacol
CID 23642
4-Methoxybenzenethiol
CID 12765
3-Methoxybenzenethiol
CID 84989
4-Methoxybenzenesulfonyl chloride
CID 7401
Bis(4-methoxyphenyl) disulfide
CID 79258
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol
CID 15516781
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol
CID 19366816
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol
CID 19366844
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol
CID 19366856

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylsulfanylbenzene?
The IUPAC name of 1-methoxy-4-methylsulfanylbenzene (CID 15885) is 1-methoxy-4-methylsulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-methylsulfanylbenzene?
The canonical SMILES for 1-methoxy-4-methylsulfanylbenzene is COc1ccc(SC)cc1.
What is the InChIKey of 1-methoxy-4-methylsulfanylbenzene?
The InChIKey is DQNSKXYRRRCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 1-methoxy-4-methylsulfanylbenzene?
1-methoxy-4-methylsulfanylbenzene has a molecular weight of 154.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylsulfanylbenzene is sourced from PubChem (CID 15885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).