1-methyl-4-(4-nitrosophenyl)sulfanylbenzene

C13H11NOS — CID 142040768

IUPAC1-methyl-4-(4-nitrosophenyl)sulfanylbenzene
SMILESCc1ccc(Sc2ccc(N=O)cc2)cc1
InChIInChI=1S/C13H11NOS/c1-10-2-6-12(7-3-10)16-13-8-4-11(14-15)5-9-13/h2-9H,1H3
InChIKeyCHDGLZDKFDNOSY-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.54
Rot. Bonds3

About 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene

1-methyl-4-(4-nitrosophenyl)sulfanylbenzene (PubChem CID 142040768) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methyl-4-(4-nitrosophenyl)sulfanylbenzene
PubChem CID142040768
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name1-methyl-4-(4-nitrosophenyl)sulfanylbenzene
SMILESCc1ccc(Sc2ccc(N=O)cc2)cc1
InChIInChI=1S/C13H11NOS/c1-10-2-6-12(7-3-10)16-13-8-4-11(14-15)5-9-13/h2-9H,1H3
InChIKeyCHDGLZDKFDNOSY-UHFFFAOYSA-N
XLogP4.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene?
The IUPAC name of 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene (CID 142040768) is 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene.
What is the SMILES notation for 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene?
The canonical SMILES for 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene is Cc1ccc(Sc2ccc(N=O)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene?
The InChIKey is CHDGLZDKFDNOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-10-2-6-12(7-3-10)16-13-8-4-11(14-15)5-9-13/h2-9H,1H3.
What are the key properties of 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene?
1-methyl-4-(4-nitrosophenyl)sulfanylbenzene has a molecular weight of 229.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrosophenyl)sulfanylbenzene is sourced from PubChem (CID 142040768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).