N-(3-bromo-5-methylphenyl)sulfanylmethanamine

C8H10BrNS — CID 166983055

IUPACN-(3-bromo-5-methylphenyl)sulfanylmethanamine
SMILESCNSc1cc(C)cc(Br)c1
InChIInChI=1S/C8H10BrNS/c1-6-3-7(9)5-8(4-6)11-10-2/h3-5,10H,1-2H3
InChIKeyCUJLOFYRFHDLRX-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.98
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)sulfanylmethanamine

N-(3-bromo-5-methylphenyl)sulfanylmethanamine (PubChem CID 166983055) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)sulfanylmethanamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)sulfanylmethanamine
PubChem CID166983055
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC NameN-(3-bromo-5-methylphenyl)sulfanylmethanamine
SMILESCNSc1cc(C)cc(Br)c1
InChIInChI=1S/C8H10BrNS/c1-6-3-7(9)5-8(4-6)11-10-2/h3-5,10H,1-2H3
InChIKeyCUJLOFYRFHDLRX-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-5-methylphenyl)sulfanylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-5-methylphenyl)sulfanylethanamine
CID 166983128
N-(3-bromo-5-propan-2-yloxyphenyl)sulfanylmethanamine
CID 166983057
1-bromo-3-methyl-5-methylsulfanylbenzene;ethane;ethene
CID 144805202
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
3-bromo-N,5-dimethylaniline;methanethioamide
CID 143598435
1-bromo-3-(2-chloropropan-2-yl)-5-methylbenzene
CID 159521418
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
1-bromo-3-tert-butyl-5-methylbenzene;methoxymethane
CID 174322408
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
CID 169474790
N-(4-chloro-3-methylphenyl)sulfanylmethanamine
CID 117033794

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)sulfanylmethanamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)sulfanylmethanamine (CID 166983055) is N-(3-bromo-5-methylphenyl)sulfanylmethanamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)sulfanylmethanamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)sulfanylmethanamine is CNSc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)sulfanylmethanamine?
The InChIKey is CUJLOFYRFHDLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-6-3-7(9)5-8(4-6)11-10-2/h3-5,10H,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)sulfanylmethanamine?
N-(3-bromo-5-methylphenyl)sulfanylmethanamine has a molecular weight of 232.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)sulfanylmethanamine is sourced from PubChem (CID 166983055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).