N-methyl-2-methylsulfanylaniline

C8H11NS — CID 12707653

IUPACN-methyl-2-methylsulfanylaniline
SMILESCNc1ccccc1SC
InChIInChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
InChIKeyPACLFTSARPNRHD-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.45
Rot. Bonds2

About N-methyl-2-methylsulfanylaniline

N-methyl-2-methylsulfanylaniline (PubChem CID 12707653) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylaniline
PubChem CID12707653
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-methyl-2-methylsulfanylaniline
SMILESCNc1ccccc1SC
InChIInChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
InChIKeyPACLFTSARPNRHD-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylaniline?
The IUPAC name of N-methyl-2-methylsulfanylaniline (CID 12707653) is N-methyl-2-methylsulfanylaniline.
What is the SMILES notation for N-methyl-2-methylsulfanylaniline?
The canonical SMILES for N-methyl-2-methylsulfanylaniline is CNc1ccccc1SC.
What is the InChIKey of N-methyl-2-methylsulfanylaniline?
The InChIKey is PACLFTSARPNRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3.
What are the key properties of N-methyl-2-methylsulfanylaniline?
N-methyl-2-methylsulfanylaniline has a molecular weight of 153.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylaniline is sourced from PubChem (CID 12707653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).