N-methyl-4-(methylaminosulfanyl)aniline

C8H12N2S — CID 142535026

IUPACN-methyl-4-(methylaminosulfanyl)aniline
SMILESCNSc1ccc(NC)cc1
InChIInChI=1S/C8H12N2S/c1-9-7-3-5-8(6-4-7)11-10-2/h3-6,9-10H,1-2H3
InChIKeyAZSYHADMLMOPGE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-4-(methylaminosulfanyl)aniline

N-methyl-4-(methylaminosulfanyl)aniline (PubChem CID 142535026) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N-methyl-4-(methylaminosulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(methylaminosulfanyl)aniline
PubChem CID142535026
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN-methyl-4-(methylaminosulfanyl)aniline
SMILESCNSc1ccc(NC)cc1
InChIInChI=1S/C8H12N2S/c1-9-7-3-5-8(6-4-7)11-10-2/h3-6,9-10H,1-2H3
InChIKeyAZSYHADMLMOPGE-UHFFFAOYSA-N
XLogP1.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminosulfanyl)aniline?
The IUPAC name of N-methyl-4-(methylaminosulfanyl)aniline (CID 142535026) is N-methyl-4-(methylaminosulfanyl)aniline.
What is the SMILES notation for N-methyl-4-(methylaminosulfanyl)aniline?
The canonical SMILES for N-methyl-4-(methylaminosulfanyl)aniline is CNSc1ccc(NC)cc1.
What is the InChIKey of N-methyl-4-(methylaminosulfanyl)aniline?
The InChIKey is AZSYHADMLMOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-9-7-3-5-8(6-4-7)11-10-2/h3-6,9-10H,1-2H3.
What are the key properties of N-methyl-4-(methylaminosulfanyl)aniline?
N-methyl-4-(methylaminosulfanyl)aniline has a molecular weight of 168.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminosulfanyl)aniline is sourced from PubChem (CID 142535026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).