(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol

C10H14BrNOS — CID 116909388

IUPAC(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol
SMILESCOc1ccc(Br)cc1C(S)N(C)C
InChIInChI=1S/C10H14BrNOS/c1-12(2)10(14)8-6-7(11)4-5-9(8)13-3/h4-6,10,14H,1-3H3
InChIKeyAUZXGTJEJNGROG-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.95
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol

(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol (PubChem CID 116909388) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol
PubChem CID116909388
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol
SMILESCOc1ccc(Br)cc1C(S)N(C)C
InChIInChI=1S/C10H14BrNOS/c1-12(2)10(14)8-6-7(11)4-5-9(8)13-3/h4-6,10,14H,1-3H3
InChIKeyAUZXGTJEJNGROG-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol 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

1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
3-(5-bromo-2-methoxyphenyl)butane-1-thiol
CID 83933737
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
2-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913696
1-(5-bromo-2-methoxyphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913502
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571921
(3,4-dimethoxyphenyl)-(dimethylamino)methanethiol
CID 116909365
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol (CID 116909388) is (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol is COc1ccc(Br)cc1C(S)N(C)C.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol?
The InChIKey is AUZXGTJEJNGROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12(2)10(14)8-6-7(11)4-5-9(8)13-3/h4-6,10,14H,1-3H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol?
(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol has a molecular weight of 276.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol is sourced from PubChem (CID 116909388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).