1-methyl-4-(4-methylphenyl)sulfinylbenzene

C14H14OS — CID 15680

IUPAC1-methyl-4-(4-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyMJWNJEJCQHNDNM-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.47
Rot. Bonds2

About 1-methyl-4-(4-methylphenyl)sulfinylbenzene

1-methyl-4-(4-methylphenyl)sulfinylbenzene (PubChem CID 15680) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)sulfinylbenzene
PubChem CID15680
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-methyl-4-(4-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyMJWNJEJCQHNDNM-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)sulfinylbenzene?
The IUPAC name of 1-methyl-4-(4-methylphenyl)sulfinylbenzene (CID 15680) is 1-methyl-4-(4-methylphenyl)sulfinylbenzene.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)sulfinylbenzene?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)sulfinylbenzene is Cc1ccc(S(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)sulfinylbenzene?
The InChIKey is MJWNJEJCQHNDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)sulfinylbenzene?
1-methyl-4-(4-methylphenyl)sulfinylbenzene has a molecular weight of 230.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)sulfinylbenzene is sourced from PubChem (CID 15680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).