dimethyl-(4-methylanilino)sulfanium

C9H14NS+ — CID 100939930

IUPACdimethyl-(4-methylanilino)sulfanium
SMILESCc1ccc(N[S+](C)C)cc1
InChIInChI=1S/C9H14NS/c1-8-4-6-9(7-5-8)10-11(2)3/h4-7,10H,1-3H3/q+1
InChIKeyOPOYBPMXSXUHQT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.20
Rot. Bonds2

About dimethyl-(4-methylanilino)sulfanium

dimethyl-(4-methylanilino)sulfanium (PubChem CID 100939930) has the molecular formula C9H14NS+ and a molecular weight of 168.28 g/mol. Its IUPAC name is dimethyl-(4-methylanilino)sulfanium.

Molecular Properties

Compound Namedimethyl-(4-methylanilino)sulfanium
PubChem CID100939930
Molecular FormulaC9H14NS+
Molecular Weight168.28 g/mol
Exact Mass168.08
IUPAC Namedimethyl-(4-methylanilino)sulfanium
SMILESCc1ccc(N[S+](C)C)cc1
InChIInChI=1S/C9H14NS/c1-8-4-6-9(7-5-8)10-11(2)3/h4-7,10H,1-3H3/q+1
InChIKeyOPOYBPMXSXUHQT-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
N-methylmethanamine;1,4-xylene
CID 66760370
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
chloromethane;N-chloro-4-methylaniline
CID 174858040
CID 136742147
CID 136742147
N-bromo-4-methylaniline;hydrochloride
CID 175327592
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
1-fluoro-2-(4-methylphenyl)hydrazine
CID 22456014
N-fluoro-4-(4-methylphenyl)aniline
CID 156821673

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylanilino)sulfanium?
The IUPAC name of dimethyl-(4-methylanilino)sulfanium (CID 100939930) is dimethyl-(4-methylanilino)sulfanium.
What is the SMILES notation for dimethyl-(4-methylanilino)sulfanium?
The canonical SMILES for dimethyl-(4-methylanilino)sulfanium is Cc1ccc(N[S+](C)C)cc1.
What is the InChIKey of dimethyl-(4-methylanilino)sulfanium?
The InChIKey is OPOYBPMXSXUHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NS/c1-8-4-6-9(7-5-8)10-11(2)3/h4-7,10H,1-3H3/q+1.
What are the key properties of dimethyl-(4-methylanilino)sulfanium?
dimethyl-(4-methylanilino)sulfanium has a molecular weight of 168.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylanilino)sulfanium is sourced from PubChem (CID 100939930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).