4-(dimethylamino)benzenethiol

C8H11NS — CID 21061

IUPAC4-(dimethylamino)benzenethiol
SMILESCN(C)c1ccc(S)cc1
InChIInChI=1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKeyPQSBRHXGVPVYFJ-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.04
Rot. Bonds1

About 4-(dimethylamino)benzenethiol

4-(dimethylamino)benzenethiol (PubChem CID 21061) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-(dimethylamino)benzenethiol.

Molecular Properties

Compound Name4-(dimethylamino)benzenethiol
PubChem CID21061
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-(dimethylamino)benzenethiol
SMILESCN(C)c1ccc(S)cc1
InChIInChI=1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKeyPQSBRHXGVPVYFJ-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)benzenethiol 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,N-Dimethylaniline
CID 949
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
Trimethylphenylammonium iodide
CID 94135
Phenyltrimethylammonium chloride
CID 67309
Trimethylphenylammonium hydroxide
CID 15913
Phenyltrimethylammonium bromide
CID 27663
p-Dimethylaminophenyl thiocyanate
CID 23540
N,N-Dibutylaniline
CID 61154
Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
CID 77880
Benzenaminium, N,N,N-triethyl-, iodide (1:1)
CID 70524
N-Ethyl-N-methylaniline
CID 11956

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzenethiol?
The IUPAC name of 4-(dimethylamino)benzenethiol (CID 21061) is 4-(dimethylamino)benzenethiol.
What is the SMILES notation for 4-(dimethylamino)benzenethiol?
The canonical SMILES for 4-(dimethylamino)benzenethiol is CN(C)c1ccc(S)cc1.
What is the InChIKey of 4-(dimethylamino)benzenethiol?
The InChIKey is PQSBRHXGVPVYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3.
What are the key properties of 4-(dimethylamino)benzenethiol?
4-(dimethylamino)benzenethiol has a molecular weight of 153.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzenethiol is sourced from PubChem (CID 21061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).