5-methylsulfanyl-2-nitrosoaniline

C7H8N2OS — CID 88982168

IUPAC5-methylsulfanyl-2-nitrosoaniline
SMILESCSc1ccc(N=O)c(N)c1
InChIInChI=1S/C7H8N2OS/c1-11-5-2-3-7(9-10)6(8)4-5/h2-4H,8H2,1H3
InChIKeyKEPWXUAPWMVWFN-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.39
Rot. Bonds2

About 5-methylsulfanyl-2-nitrosoaniline

5-methylsulfanyl-2-nitrosoaniline (PubChem CID 88982168) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-methylsulfanyl-2-nitrosoaniline.

Molecular Properties

Compound Name5-methylsulfanyl-2-nitrosoaniline
PubChem CID88982168
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-methylsulfanyl-2-nitrosoaniline
SMILESCSc1ccc(N=O)c(N)c1
InChIInChI=1S/C7H8N2OS/c1-11-5-2-3-7(9-10)6(8)4-5/h2-4H,8H2,1H3
InChIKeyKEPWXUAPWMVWFN-UHFFFAOYSA-N
XLogP2.39
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-nitrosoaniline?
The IUPAC name of 5-methylsulfanyl-2-nitrosoaniline (CID 88982168) is 5-methylsulfanyl-2-nitrosoaniline.
What is the SMILES notation for 5-methylsulfanyl-2-nitrosoaniline?
The canonical SMILES for 5-methylsulfanyl-2-nitrosoaniline is CSc1ccc(N=O)c(N)c1.
What is the InChIKey of 5-methylsulfanyl-2-nitrosoaniline?
The InChIKey is KEPWXUAPWMVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-11-5-2-3-7(9-10)6(8)4-5/h2-4H,8H2,1H3.
What are the key properties of 5-methylsulfanyl-2-nitrosoaniline?
5-methylsulfanyl-2-nitrosoaniline has a molecular weight of 168.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-nitrosoaniline is sourced from PubChem (CID 88982168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).