hydroxy-(methylamino)-(4-methylphenyl)sulfanium

C8H12NOS+ — CID 143843360

IUPAChydroxy-(methylamino)-(4-methylphenyl)sulfanium
SMILESCN[S+](O)c1ccc(C)cc1
InChIInChI=1S/C8H12NOS/c1-7-3-5-8(6-4-7)11(10)9-2/h3-6,9-10H,1-2H3/q+1
InChIKeyHNCMFXXSQZEMTF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.58
Rot. Bonds2

About hydroxy-(methylamino)-(4-methylphenyl)sulfanium

hydroxy-(methylamino)-(4-methylphenyl)sulfanium (PubChem CID 143843360) has the molecular formula C8H12NOS+ and a molecular weight of 170.26 g/mol. Its IUPAC name is hydroxy-(methylamino)-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Namehydroxy-(methylamino)-(4-methylphenyl)sulfanium
PubChem CID143843360
Molecular FormulaC8H12NOS+
Molecular Weight170.26 g/mol
Exact Mass170.06
IUPAC Namehydroxy-(methylamino)-(4-methylphenyl)sulfanium
SMILESCN[S+](O)c1ccc(C)cc1
InChIInChI=1S/C8H12NOS/c1-7-3-5-8(6-4-7)11(10)9-2/h3-6,9-10H,1-2H3/q+1
InChIKeyHNCMFXXSQZEMTF-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;1,4-xylene
CID 66760370
bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
CID 22901782
amino-methyl-(4-methylphenyl)sulfanium
CID 176964394
ethane;methanol;1,4-xylene
CID 171074418
1-methyl-2-(4-methylphenyl)hydrazine;propane
CID 144808247
ethanol;methanol;1,4-xylene
CID 70196397
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
methyl-bis[4-(4-methylphenyl)phenyl]sulfanium
CID 88553212
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
methane;pentakis(1,4-xylene)
CID 160760083
methane;propane;1,4-xylene
CID 143560264

Frequently Asked Questions

What is the IUPAC name of hydroxy-(methylamino)-(4-methylphenyl)sulfanium?
The IUPAC name of hydroxy-(methylamino)-(4-methylphenyl)sulfanium (CID 143843360) is hydroxy-(methylamino)-(4-methylphenyl)sulfanium.
What is the SMILES notation for hydroxy-(methylamino)-(4-methylphenyl)sulfanium?
The canonical SMILES for hydroxy-(methylamino)-(4-methylphenyl)sulfanium is CN[S+](O)c1ccc(C)cc1.
What is the InChIKey of hydroxy-(methylamino)-(4-methylphenyl)sulfanium?
The InChIKey is HNCMFXXSQZEMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NOS/c1-7-3-5-8(6-4-7)11(10)9-2/h3-6,9-10H,1-2H3/q+1.
What are the key properties of hydroxy-(methylamino)-(4-methylphenyl)sulfanium?
hydroxy-(methylamino)-(4-methylphenyl)sulfanium has a molecular weight of 170.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(methylamino)-(4-methylphenyl)sulfanium is sourced from PubChem (CID 143843360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).