1-(2,5-dibromoanilino)-2-methylpropane-2-thiol

C10H13Br2NS — CID 102507813

IUPAC1-(2,5-dibromoanilino)-2-methylpropane-2-thiol
SMILESCC(C)(S)CNc1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NS/c1-10(2,14)6-13-9-5-7(11)3-4-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyLFKGMZLLPZBLEQ-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.33
Rot. Bonds3

About 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol

1-(2,5-dibromoanilino)-2-methylpropane-2-thiol (PubChem CID 102507813) has the molecular formula C10H13Br2NS and a molecular weight of 339.10 g/mol. Its IUPAC name is 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol.

Molecular Properties

Compound Name1-(2,5-dibromoanilino)-2-methylpropane-2-thiol
PubChem CID102507813
Molecular FormulaC10H13Br2NS
Molecular Weight339.10 g/mol
Exact Mass336.91
IUPAC Name1-(2,5-dibromoanilino)-2-methylpropane-2-thiol
SMILESCC(C)(S)CNc1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NS/c1-10(2,14)6-13-9-5-7(11)3-4-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyLFKGMZLLPZBLEQ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol 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

2-Bromo-N-methylaniline
CID 334086
3-Bromo-N-methylaniline
CID 7018299
{2-[(3-Bromophenyl)amino]ethyl}dimethylamine
CID 28581237
N-(3-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399297
N-(2-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399494
3-Bromo-N-(prop-2-en-1-yl)aniline
CID 24747736
4-bromo-N-ethylaniline
CID 11745656
2-Bromo-N-(1-methylethyl)benzenamine
CID 14924376
3-bromo-N-(propan-2-yl)aniline
CID 23291934
3-bromo-N-ethylaniline hydrochloride
CID 43810671
2-bromo-N-methylaniline hydrochloride
CID 44118598
2-bromo-1-N-methylbenzene-1,4-diamine
CID 54595648

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol?
The IUPAC name of 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol (CID 102507813) is 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol.
What is the SMILES notation for 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol?
The canonical SMILES for 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol is CC(C)(S)CNc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol?
The InChIKey is LFKGMZLLPZBLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NS/c1-10(2,14)6-13-9-5-7(11)3-4-8(9)12/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol?
1-(2,5-dibromoanilino)-2-methylpropane-2-thiol has a molecular weight of 339.10 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromoanilino)-2-methylpropane-2-thiol is sourced from PubChem (CID 102507813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).