N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine

C10H15NS — CID 129060272

IUPACN-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
SMILESCc1cccc(CCN(C)S)c1
InChIInChI=1S/C10H15NS/c1-9-4-3-5-10(8-9)6-7-11(2)12/h3-5,8,12H,6-7H2,1-2H3
InChIKeyLHZJFHKYUKSQPH-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine

N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine (PubChem CID 129060272) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
PubChem CID129060272
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
SMILESCc1cccc(CCN(C)S)c1
InChIInChI=1S/C10H15NS/c1-9-4-3-5-10(8-9)6-7-11(2)12/h3-5,8,12H,6-7H2,1-2H3
InChIKeyLHZJFHKYUKSQPH-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
2-[methyl-[2-(3-methylphenyl)ethyl]amino]-2-oxoacetic acid
CID 82127746
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041484
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
2-(3-methylphenyl)ethanolate
CID 142208639
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
CID 142389999
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine?
The IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine (CID 129060272) is N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine?
The canonical SMILES for N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine is Cc1cccc(CCN(C)S)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine?
The InChIKey is LHZJFHKYUKSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9-4-3-5-10(8-9)6-7-11(2)12/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine?
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine has a molecular weight of 181.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine is sourced from PubChem (CID 129060272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).